Geometry & MOs

Info

ID:	123612
PubChem CID:	50855618
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	303.096754
ΔH_f, kcal/mol:	65.75
Dipole, Da:	6.86
IP(EA), eV:	-8.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations