Geometry & MOs

Info

ID:	81650
PubChem CID:	49854965
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	25.04
Dipole, Da:	2.98
IP(EA), eV:	-8.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CC5=CC=CC=C5N(C(=O)C4)CC

DOS

IR

Vibrations