Geometry & MOs

Info

ID:	365090
PubChem CID:	127316832
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	2.49
Dipole, Da:	5.56
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC(=CC=C3)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations