Geometry & MOs

Info

ID:	260576
PubChem CID:	103195949
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-62.41
Dipole, Da:	2.13
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(quinolin-4-ylmethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)CN2CC3C(C2=O)CCCN3)OC

DOS

IR

Vibrations