Geometry & MOs

Info

ID:	365108
PubChem CID:	127316850
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	4.49
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(N=C(S3)C)C

DOS

IR

Vibrations