Geometry & MOs

Info

ID:	64784
PubChem CID:	29203996
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	367.14514
ΔH_f, kcal/mol:	-133.54
Dipole, Da:	5.16
IP(EA), eV:	-9.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=CC=C1)NC(=O)OCC

DOS

IR

Vibrations