Geometry & MOs

Info

ID:	260777
PubChem CID:	103203614
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	3.73
IP(EA), eV:	-9.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations