Geometry & MOs

Info

ID:	81457
PubChem CID:	49854747
Reduced:	N5O5C25H27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	318.209599
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	5.64
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C34CC3CN(C4)C(=O)CNC(=O)C5=CN=CC=C5

DOS

IR

Vibrations