Geometry & MOs

Info

ID:	397953
PubChem CID:	135031127
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	331.097521
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	2.96
IP(EA), eV:	-9.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(3-chlorophenyl)-3-(N-methylanilino)-3-oxopropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H](C(=O)CCC2=CC=CC=C2)O

DOS

IR

Vibrations