Geometry & MOs

Info

ID:	138718
PubChem CID:	52415096
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	4.68
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-N-benzylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)N[C@@H](C2CC2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations