Geometry & MOs

Info

ID:	44066
PubChem CID:	10500641
Reduced:	BrN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	390.07316
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	10.66
IP(EA), eV:	-8.71(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-1-(naphthalen-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CN2)CC[N+]3=CC=CC(=C3)C(=O)OC.[Br-]

DOS

IR

Vibrations