Geometry & MOs

Info

ID:	344405
PubChem CID:	127267581
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-8.16
Dipole, Da:	5.23
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-4-[[cyclopropyl(ethyl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)C2=CC=C(C=C2)CN3CCSCC3

DOS

IR

Vibrations