Geometry & MOs

Info

ID:	274220
PubChem CID:	103807818
Reduced:	SCl2N2O2C11H14 (1)
Stoich.:	AB2C2D2E11F14 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	3.65
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1-aminoethyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(C1CN(CCO1)C(=O)C2=C(SC(=C2)Cl)Cl)N

DOS

IR

Vibrations