Geometry & MOs

Info

ID:	395769
PubChem CID:	135026484
Reduced:	BrN3H14C21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	153.68
Dipole, Da:	6.08
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8Z)-1,3-dicyclohexyl-6-methyl-8-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,6,7-tetrazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2)[C@H]3C(C3(C#N)C#N)C4=CC=C(C=C4)Br

DOS

IR

Vibrations