Geometry & MOs

Info

ID:	291455
PubChem CID:	112379023
Reduced:	NF2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-160.06
Dipole, Da:	2.81
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-3-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)CCC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations