Geometry & MOs

Info

ID:	399380
PubChem CID:	135039968
Reduced:	H3O4C7N7 (1)
Stoich.:	A3B4C7D7 (1)
Weight, g/mol:	221.120449
ΔH_f, kcal/mol:	163.91
Dipole, Da:	7.76
IP(EA), eV:	-9.91(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-(2-phenylethynyl)aniline

Drug info:

PubChemData

Smile

C1=CN=C2C(=N1)[N-][N+]3=C(C(=CN23)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations