Geometry & MOs

Info

ID:	124540
PubChem CID:	50887159
Reduced:	N2O6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	2.06
IP(EA), eV:	-9.35(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-chloro-5-[2-[5-cyano-4-methyl-1-(2-methylpropyl)-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CC\1=NOC(=O)/C1=C\C2=CC(=C(C(=C2)OC)OC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations