Geometry & MOs

Info

ID:	62791
PubChem CID:	26736813
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	337.09819
ΔH_f, kcal/mol:	16.96
Dipole, Da:	2.75
IP(EA), eV:	-9.49(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-cyclopropyl-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations