Geometry & MOs

Info

ID:	394802
PubChem CID:	135023836
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	367.168462
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	4.35
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3CCC(C3)C2C(=O)NC4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations