Geometry & MOs

Info

ID:	207077
PubChem CID:	80342583
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-112.26
Dipole, Da:	3.64
IP(EA), eV:	-9.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(1S)-1-hydroxyethyl]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)N2CC(=O)NC(=O)C2(C)C)O

DOS

IR

Vibrations