Geometry & MOs

Info

ID:	192632
PubChem CID:	78294425
Reduced:	ClNO2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	446.27941
ΔH_f, kcal/mol:	109.35
Dipole, Da:	6.97
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-adamantyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C(=C2C1CCCC2)C(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations