Geometry & MOs

Info

ID:	35664
PubChem CID:	7980169
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	331.097521
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	4.17
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-chlorophenyl)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