Geometry & MOs

Info

ID:	172942
PubChem CID:	75574519
Reduced:	ClN4O5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	384.14337
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	7.32
IP(EA), eV:	-9.6(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C=CC(=C1)NN=C2C(=C(C(=O)N(C2=O)CCO)C#N)C)Cl

DOS

IR

Vibrations