Geometry & MOs

Info

ID:	82971
PubChem CID:	49856911
Reduced:	ClNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	3.96
IP(EA), eV:	-9.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-3-(3-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)Cl)NC(=O)C2=CC=CC3=C2CCCC3

DOS

IR

Vibrations