Geometry & MOs

Info

ID:	39180
PubChem CID:	8139876
Reduced:	N2O3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	0.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994377
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations