Geometry & MOs

Info

ID:	121448
PubChem CID:	50768273
Reduced:	N3O3H25C27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	3.2
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)CCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

DOS

IR

Vibrations