Geometry & MOs

Info

ID:	390054
PubChem CID:	134996825
Reduced:	BOPC18H23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	39.25
Dipole, Da:	6.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793755
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-10,12-dimethyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene-11,13-dione

Drug info:

PubChemData

Smile

[B][P+](CC1=CC=CC=C1OC)(C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations