Geometry & MOs

Info

ID:

376267

PubChem CID:

134222277

Reduced:

N3H37C51 (1)

Stoich.:

A3B37C51 (1)

Weight, g/mol:

401.283098

ΔHf, kcal/mol:

222.53

Dipole, Da:

2.65

IP(EA), eV:

 -8.17(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-8-[2-(6-cyclopropylpyridin-2-yl)-2-methylpropyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC1(C2C=CC=CC2C3=C1C=C(C=C3)C4=NC(=CC(=N4)C5=CC(=CC=C5)N6C7=C(C8=CC=CC=C8C=C7)C9=C6C=CC1=CC=CC=C19)C1=CC=CC=C1)C

DOS

IR

Vibrations