Geometry & MOs

Info

ID:	34482
PubChem CID:	7978527
Reduced:	ClN4O4C13H19 (1)
Stoich.:	AB4C4D13E19 (1)
Weight, g/mol:	377.112404
ΔH_f, kcal/mol:	-159.89
Dipole, Da:	2.85
IP(EA), eV:	-9.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NC)Cl

DOS

IR

Vibrations