Geometry & MOs

Info

ID:	34587
PubChem CID:	7978699
Reduced:	ClN3O5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-177.39
Dipole, Da:	6.35
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-phenylacetyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations