Geometry & MOs

Info

ID:	34582
PubChem CID:	7978694
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-126.04
Dipole, Da:	4.42
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,4,5-triethoxybenzoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC=C2OC)Cl

DOS

IR

Vibrations