Geometry & MOs

Info

ID:	207083
PubChem CID:	80343195
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	3.81
IP(EA), eV:	-8.35(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

CCCC1CCCN(CC1)C2=NC=CC(=C2)[C@@H](C)O

DOS

IR

Vibrations