Geometry & MOs

Info

ID:	56193
PubChem CID:	17422472
Reduced:	SF2N2O2H12C14 (1)
Stoich.:	AB2C2D2E12F14 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	4.6
IP(EA), eV:	-8.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)/C=C/C(=O)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations