Geometry & MOs

Info

ID:	68611
PubChem CID:	46508763
Reduced:	FNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	481.166938
ΔH_f, kcal/mol:	-115.9
Dipole, Da:	5.5
IP(EA), eV:	-8.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)/C=C/C2=CC=C(S2)C3=CC=C(C=C3)F

DOS

IR

Vibrations