Geometry & MOs

Info

ID:	85557
PubChem CID:	49876801
Reduced:	NCl2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	347.035408
ΔH_f, kcal/mol:	-157.97
Dipole, Da:	4.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753173
Charge, e:	-1

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-quinolin-8-yloxyacetamide;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CC(COC2=C(C=C(C=C2)Cl)C)O.[Cl-]

DOS

IR

Vibrations