Geometry & MOs

Info

ID:	260749
PubChem CID:	103202719
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	290.057053
ΔH_f, kcal/mol:	-3.99
Dipole, Da:	2.69
IP(EA), eV:	-9.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-nitroanilino)methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)CNCC1=CN(C(=C1)C#N)C

DOS

IR

Vibrations