Geometry & MOs

Info

ID:	282789
PubChem CID:	103938905
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	36.16
Dipole, Da:	3.72
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(1S)-1-hydroxypropyl]pyridin-3-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N(C)C2=CC=CC=C2C#N)O

DOS

IR

Vibrations