Geometry & MOs

Info

ID:	140869
PubChem CID:	52775062
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-144.75
Dipole, Da:	2.63
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)CC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations