Geometry & MOs

Info

ID:	58610
PubChem CID:	24712290
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	34.28
Dipole, Da:	4.34
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)C(=O)NCC3=CN=CC=C3)C

DOS

IR

Vibrations