Geometry & MOs

Info

ID:	68629
PubChem CID:	46508796
Reduced:	SO2N6H24C25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	50.96
Dipole, Da:	6.71
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations