Geometry & MOs

Info

ID:	37785
PubChem CID:	8024386
Reduced:	N2O5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-118.6
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.902787
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations