Geometry & MOs

Info

ID:	166054
PubChem CID:	74630931
Reduced:	O2N3H19C24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	64.1
Dipole, Da:	4.88
IP(EA), eV:	-8.8(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-oxo-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=CC=C2NCC3=NC(=O)C4C(=N3)C5=CC=CC=C5O4

DOS

IR

Vibrations