Geometry & MOs

Info

ID:	435422
PubChem CID:	135191439
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	3.8
IP(EA), eV:	-8.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(Z)-2-[5-fluoro-2-(methylamino)phenyl]-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]-1-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=C(C(=C(N3)C)NC(=O)[C@H]4CCCN4)C

DOS

IR

Vibrations