Geometry & MOs

Info

ID:	369465
PubChem CID:	127333449
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	5.27
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylcarbamoyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCCC(C3)N4CCCC4

DOS

IR

Vibrations