Geometry & MOs

Info

ID:	268197
PubChem CID:	103598331
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	18.59
Dipole, Da:	3.38
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-methoxyphenyl)prop-2-enoyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CCN(C)C)C(=O)C=CC1=CN(C2=CC=CC=C21)CCC#N

DOS

IR

Vibrations