Geometry & MOs

Info

ID:	139575
PubChem CID:	52561316
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	1.01
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[butyl(methyl)amino]-2-(2-chlorophenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)[C@@H](C2=CC=CC=C2Cl)C(=O)OC)C

DOS

IR

Vibrations