Geometry & MOs

Info

ID:	38120
PubChem CID:	8027162
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	198.044757
ΔH_f, kcal/mol:	-157.87
Dipole, Da:	3.56
IP(EA), eV:	-8.62(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C[C@H]1CC(=NO1)C2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations