Geometry & MOs

Info

ID:

219836

PubChem CID:

85164946

Reduced:

O2H18C21 (2)

Stoich.:

A2B18C21 (2)

Weight, g/mol:

604.310121

ΔHf, kcal/mol:

-1.37

Dipole, Da:

2.25

IP(EA), eV:

 -9.12(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-acetyl-1-(1-adamantylmethyl)-9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(=CC1(C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C=C(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6)C(=O)OC

DOS

IR

Vibrations