Geometry & MOs

Info

ID:	407006
PubChem CID:	135079099
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	413.097148
ΔH_f, kcal/mol:	25.31
Dipole, Da:	4.26
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-methoxy-3-[4-nitro-N-[2-(4-nitrophenyl)ethyl]anilino]-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC\1C/C1=C\C2=CC=CC=C2C=O

DOS

IR

Vibrations