Geometry & MOs

Info

ID:	22820
PubChem CID:	598794
Reduced:	N3H9C10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	171.079647
ΔH_f, kcal/mol:	78.26
Dipole, Da:	7.6
IP(EA), eV:	-8.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-1,3,10-triazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene

Drug info:

PubChemData

Smile

CC1=CN2C(=CC=C3C2=NC=C3)N1

DOS

IR

Vibrations