Geometry & MOs

Info

ID:	382489
PubChem CID:	134973688
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	76.57
Dipole, Da:	10.74
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-N-(4-methoxyphenyl)-8-(2-methylpropyl)-3,4,5,6,9-pentazatricyclo[7.3.0.02,6]dodeca-2,4-dien-7-imine

Drug info:

PubChemData

Smile

CC(C)CC1C(=NC2=CC=C(C=C2)OC)N3C(=NN=N3)C4N1CCC4

DOS

IR

Vibrations