Geometry & MOs

Info

ID:	394846
PubChem CID:	135023940
Reduced:	NOSC21H23 (1)
Stoich.:	ABCD21E23 (1)
Weight, g/mol:	362.145285
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.17
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-N-(2-methylsulfanylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)C2C3CCC(C3)C2C4=CC=CC=C4

DOS

IR

Vibrations