Geometry & MOs

Info

ID:	26772
PubChem CID:	798274
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-15.48
Dipole, Da:	1.56
IP(EA), eV:	-8.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations