Geometry & MOs

Info

ID:	131903
PubChem CID:	51276780
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-82.78
Dipole, Da:	6.66
IP(EA), eV:	-8.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1,3-benzodioxol-5-yl)propanoyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations