Geometry & MOs

Info

ID:	296688
PubChem CID:	117588639
Reduced:	N2S4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	372.183778
ΔH_f, kcal/mol:	90.5
Dipole, Da:	5.96
IP(EA), eV:	-8.1(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-2,3-dione

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(N1CC4=CC=CC=C4)C=CC(=C3)C(=S)N5CCCCC5)C(=S)SS2)C

DOS

IR

Vibrations