Geometry & MOs

Info

ID:

435003

PubChem CID:

135176914

Reduced:

NH16C24 (2)

Stoich.:

AB16C24 (2)

Weight, g/mol:

410.229346

ΔHf, kcal/mol:

221.6

Dipole, Da:

4.28

IP(EA), eV:

 -8.12(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methoxy-3-methyl-7-pyrrolidin-3-yl-N-[1-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]-2,4-diazabicyclo[4.2.0]octa-2,4,7-trien-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CN=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations