Geometry & MOs

Info

ID:	42456
PubChem CID:	8149575
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	3.82
IP(EA), eV:	-7.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1SC)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations