Geometry & MOs

Info

ID:	204495
PubChem CID:	79972263
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	256.070405
ΔH_f, kcal/mol:	-21.39
Dipole, Da:	5.3
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-methylpyridin-3-yl)-(1,4-dithian-2-yl)methanol

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)CN(CC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations