Geometry & MOs

Info

ID:	20612
PubChem CID:	584840
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	3.67
IP(EA), eV:	-10.04(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(adamantane-1-carbonyl)-5-(4-chlorobenzoyl)-1,5-dihydropyrazol-4-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)C4=NNC(C4=O)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations