Geometry & MOs

Info

ID:	344404
PubChem CID:	127267580
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	6.15
IP(EA), eV:	-9.59(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-4-(thiomorpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCNC(=O)C2C3=CC=CC=C3

DOS

IR

Vibrations