Geometry & MOs

Info

ID:	64257
PubChem CID:	29198726
Reduced:	OSN4C26H34 (1)
Stoich.:	ABC4D26E34 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	7.71
Dipole, Da:	3.32
IP(EA), eV:	-9.3(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(4-chlorophenyl)-N-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6CC6

DOS

IR

Vibrations