Geometry & MOs

Info

ID:	260751
PubChem CID:	103202816
Reduced:	ClON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	272.107339
ΔH_f, kcal/mol:	20.97
Dipole, Da:	5.42
IP(EA), eV:	-8.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NCC2=CN(C(=C2)C#N)C)Cl

DOS

IR

Vibrations