Geometry & MOs

Info

ID:	260752
PubChem CID:	103202841
Reduced:	FON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	3.32
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(4-methyl-3-nitroanilino)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2=C(C=CC(=C2)C(=O)N)F

DOS

IR

Vibrations