Geometry & MOs

Info

ID:	55478
PubChem CID:	17395441
Reduced:	ClNOC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-104.03
Dipole, Da:	3.01
IP(EA), eV:	-9.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations