Geometry & MOs

Info

ID:	85584
PubChem CID:	49877272
Reduced:	ClNO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	317.082358
ΔH_f, kcal/mol:	-57.17
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide;chloride

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC(C1=CC=CC=C1)N.[Cl-]

DOS

IR

Vibrations