Geometry & MOs

Info

ID:	35669
PubChem CID:	7980174
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	355.105587
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	6.09
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2Cl

DOS

IR

Vibrations