Geometry & MOs

Info

ID:	225008
PubChem CID:	85735480
Reduced:	ClHN2O2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	25.49
Dipole, Da:	3.7
IP(EA), eV:	-9.9(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(but-2-ynyl)aniline

Drug info:

PubChemData

Smile

C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])NC(=O)C(=N2)N=O

DOS

IR

Vibrations