Geometry & MOs

Info

ID:	124541
PubChem CID:	50887160
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	7.11
IP(EA), eV:	-9.62(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=NNC2=CC(=C(C=C2)Cl)C(=O)OC(C)C)CC(C)C)C#N

DOS

IR

Vibrations