Geometry & MOs

Info

ID:

327862

PubChem CID:

126691178

Reduced:

ON2H40C60 (1)

Stoich.:

AB2C40D60 (1)

Weight, g/mol:

305.12949

ΔHf, kcal/mol:

239.19

Dipole, Da:

2.4

IP(EA), eV:

 -8.16(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3-N-methyl-4-N-[(2R,4R)-2-methyloxan-4-yl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C1C=C2C3=CC=CC=C3C4=CC=CC=C4C2=CC1N(C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations