Geometry & MOs

Info

ID:	81544
PubChem CID:	49854848
Reduced:	N2O2H16C19 (1)
Stoich.:	A2B2C16D19 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	25.33
Dipole, Da:	4.6
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=C(\C#N)/C2=CNC3=CC=CC=C32)OC

DOS

IR

Vibrations