Geometry & MOs

Info

ID:	139635
PubChem CID:	52573116
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	387.123736
ΔH_f, kcal/mol:	-142.19
Dipole, Da:	4.3
IP(EA), eV:	-9.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3-chlorophenyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=CO3

DOS

IR

Vibrations