Geometry & MOs

Info

ID:	382491
PubChem CID:	134973690
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	308.174945
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	5.44
IP(EA), eV:	-8.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-8-cyclopropyl-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)OC(=O)C3N1CCC3

DOS

IR

Vibrations