Geometry & MOs

Info

ID:	216542
PubChem CID:	85086393
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	279.123243
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	6.83
IP(EA), eV:	-8.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-methylphenyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene-5,7-diamine

Drug info:

PubChemData

Smile

C1CC2C(CC3NNC(=O)N3C2CC1C4=CC=CN4)CN

DOS

IR

Vibrations