Geometry & MOs

Info

ID:	394879
PubChem CID:	135024020
Reduced:	N2O7C18H20 (1)
Stoich.:	A2B7C18D20 (1)
Weight, g/mol:	432.220164
ΔH_f, kcal/mol:	-269.27
Dipole, Da:	3.17
IP(EA), eV:	-9.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-phenyl-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)O)[C@H]3C[C@H]([C@H](O3)CO)O

DOS

IR

Vibrations