Geometry & MOs

Info

ID:	283140
PubChem CID:	103960170
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	3.47
IP(EA), eV:	-8.98(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1N(C)CC2CCOCC2)O

DOS

IR

Vibrations