Geometry & MOs

Info

ID:	123625
PubChem CID:	50856710
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	331.128054
ΔH_f, kcal/mol:	47.49
Dipole, Da:	12.19
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=CN1C(C)C)/C=N\NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations