Geometry & MOs

Info

ID:

325131

PubChem CID:

126681210

Reduced:

NH20C29 (2)

Stoich.:

AB20C29 (2)

Weight, g/mol:

354.149891

ΔHf, kcal/mol:

216.87

Dipole, Da:

2.81

IP(EA), eV:

 -8.16(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2-chloro-3-methoxy-4-methylphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC1(C2=CC3=C(C=C2C4=C1C=C5C6=CC=CC=C6C7=CC=CC=C7C5=C4)C8=C(C3(C)C)C=C(C9=CC=CC=C98)C1=NC2=C(C=CC3=C2N=C(C=C3)C2=CC=CC=C2)C=C1)C

DOS

IR

Vibrations