Geometry & MOs

Info

ID:	203864
PubChem CID:	79884947
Reduced:	SN2O4C14H24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	4.74
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminophenyl)ethyl]-2,6-dimethylpyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)N(CCOC)CCOC)C)N

DOS

IR

Vibrations