Geometry & MOs

Info

ID:	380756
PubChem CID:	134971296
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	237.122575
ΔH_f, kcal/mol:	-88.05
Dipole, Da:	3.34
IP(EA), eV:	-9.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-8-nitro-2,6,11-triazatricyclo[5.3.1.04,11]undeca-7,9-dien-1-amine

Drug info:

PubChemData

Smile

CC(=O)[C@]1(C[C@H]1C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations