Geometry & MOs

Info

ID:	318636
PubChem CID:	126652507
Reduced:	ClN2O4C22H31 (1)
Stoich.:	AB2C4D22E31 (1)
Weight, g/mol:	283.133907
ΔH_f, kcal/mol:	-157.26
Dipole, Da:	2.79
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-(4-chlorophenyl)-2-methylpropyl]-methylamino]propanoate

Drug info:

PubChemData

Smile

C[C@H]1CN(C(CO1)CC2=CC=C(C=C2)Cl)C3CCN(C[C@@H]3OC)C(=O)OCC=C

DOS

IR

Vibrations