Geometry & MOs

Info

ID:	25525
PubChem CID:	626236
Reduced:	BrO2N6H21C26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	293.020333
ΔH_f, kcal/mol:	127.05
Dipole, Da:	5.05
IP(EA), eV:	-8.81(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2,4-dinitroaniline

Drug info:

PubChemData

Smile

CC(=NNC1=C2C=CC=CC2=NC1=O)C3=NC(C(=O)N(N3)C4=CC=C(C=C4)Br)CC5=CC=CC=C5

DOS

IR

Vibrations