Geometry & MOs

Info

ID:	34596
PubChem CID:	7978708
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	7.22
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-phenoxybenzoyl)adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C)Cl

DOS

IR

Vibrations