Geometry & MOs

Info

ID:	26949
PubChem CID:	804735
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-63.87
Dipole, Da:	4.76
IP(EA), eV:	-8.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-piperidin-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=CC=CC3=CC=CC=C32)C(=O)N1C)C(=O)OC

DOS

IR

Vibrations