Geometry & MOs

Info

ID:	259766
PubChem CID:	103173872
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	2.21
IP(EA), eV:	-9.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3,4-dimethoxypyridin-2-yl)methyl]triazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCC1C(=O)N(CCN1)CC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations