Geometry & MOs

Info

ID:	382496
PubChem CID:	134973697
Reduced:	NC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	290.221895
ΔH_f, kcal/mol:	113.96
Dipole, Da:	9.52
IP(EA), eV:	-9.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-N-tert-butyl-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(=NCC2=CC=CC=C2)N3C(=NN=N3)C4N1CCC4

DOS

IR

Vibrations