Geometry & MOs

Info

ID:	18288
PubChem CID:	539367
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	1.79
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[2-[(4-chlorophenyl)methyl]-5-methyl-4-phenylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C2=CC=CC=C2)N(C(=O)C)C(=O)C)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations