Geometry & MOs

Info

ID:	382487
PubChem CID:	134973686
Reduced:	N2O5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	324.206245
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	7.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769107
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S)-N-benzyl-8-(2-methylpropyl)-3,4,5,6,9-pentazatricyclo[7.3.0.02,6]dodeca-2,4-dien-7-imine

Drug info:

PubChemData

Smile

CCO/C(=C(/C(CCC=C=CC1=CC(=CC(=C1)OC)OC)O)\[N+]#N)/O

DOS

IR

Vibrations