Geometry & MOs

Info

ID:	155235
PubChem CID:	56323067
Reduced:	N5O6C23H23 (1)
Stoich.:	A5B6C23D23 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	7.69
IP(EA), eV:	-8.82(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[5-chloro-2-(piperidine-1-carbonyl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations