Geometry & MOs

Info

ID:	394798
PubChem CID:	135023832
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	446.235814
ΔH_f, kcal/mol:	-220.91
Dipole, Da:	4.95
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](C2=C(C(=CC=C2)OC)OC)O

DOS

IR

Vibrations