Geometry & MOs

Info

ID:	34604
PubChem CID:	7978719
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	8.61
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,3,4-trimethoxybenzoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations