Geometry & MOs

Info

ID:	290563
PubChem CID:	104644083
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	271.097521
ΔH_f, kcal/mol:	-199.53
Dipole, Da:	2.63
IP(EA), eV:	-9.36(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-(3-chlorophenyl)ethylamino]-2-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CNC1CCC(CC1)C(=O)N)(C(=O)OC)O

DOS

IR

Vibrations