Geometry & MOs

Info

ID:

313154

PubChem CID:

126612263

Reduced:

NOH69C92 (1)

Stoich.:

ABC69D92 (1)

Weight, g/mol:

243.173548

ΔHf, kcal/mol:

253.67

Dipole, Da:

2.48

IP(EA), eV:

 -7.71(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S)-5,7-dimethyl-4-pyrimidin-5-yl-1-bicyclo[5.1.0]octanyl]methanimine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)C4=C1C=C5C6=C(C=C(C=C6)C7=CC8=C(C=C7)OC9=C(N8C1=C(C=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C=C(C=C9)C1=CC2=C(C=C1)C1=CC3=C(C=C1C2(C)C)C1=C(C3(C)C)C=CC2=CC=CC=C21)C(C5=C4)(C)C)C

DOS

IR

Vibrations