Geometry & MOs

Info

ID:	123611
PubChem CID:	50855607
Reduced:	ON2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	79.0
Dipole, Da:	5.2
IP(EA), eV:	-8.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-4-nitroaniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC(=C2)C=NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations