Geometry & MOs

Info

ID:

396749

PubChem CID:

135029143

Reduced:

NH16C21 (1)

Stoich.:

AB16C21 (1)

Weight, g/mol:

287.1674

ΔHf, kcal/mol:

142.23

Dipole, Da:

4.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.136072

Charge, e:

 0

Chem-info

IUPAC name:

(4aS)-4,7-diphenyl-4a,5,6,7,8,8a-hexahydroquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C\C=[N])/C3=CC=CC=C3

DOS

IR

Vibrations