Geometry & MOs

Info

ID:	35665
PubChem CID:	7980170
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-106.23
Dipole, Da:	6.27
IP(EA), eV:	-9.42(-0.86)
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] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations