Geometry & MOs

Info

ID:	173219
PubChem CID:	75611606
Reduced:	ClN4O6C21H23 (1)
Stoich.:	AB4C6D21E23 (1)
Weight, g/mol:	628.00046
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	1.81
IP(EA), eV:	-8.3(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-6-[[2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations