Geometry & MOs

Info

ID:

80415

PubChem CID:

49834345

Reduced:

O2N9H33C36 (1)

Stoich.:

A2B9C33D36 (1)

Weight, g/mol:

526.122626

ΔHf, kcal/mol:

123.6

Dipole, Da:

5.42

IP(EA), eV:

 -8.35(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-fluorophenyl) 6-chloro-1-[4-(4-chlorobutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)CNC1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)C3=CN=C4N3C(=CC=C4)C5=CC6=C(C=C5)N=C(N6)CC7=CC=CC=C7

DOS

IR

Vibrations