Geometry & MOs

Info

ID:	35880
PubChem CID:	7980440
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	2.65
IP(EA), eV:	-9.27(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)NCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations