Geometry & MOs

Info

ID:	58846
PubChem CID:	24714948
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	5.75
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-1-piperidin-4-yl-2-(prop-2-enylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC(C2CCNCC2)C(=O)NCC=C

DOS

IR

Vibrations