Geometry & MOs

Info

ID:	284903
PubChem CID:	104081895
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	1.56
IP(EA), eV:	-8.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNC2=CC3=C(C=C2)SC=C3)CO

DOS

IR

Vibrations