Geometry & MOs

Info

ID:	407515
PubChem CID:	135080260
Reduced:	ClN2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	64.01
Dipole, Da:	3.34
IP(EA), eV:	-8.58(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z)-3-cyclopropyl-2-(2-cyclopropylethynyl)buta-1,3-dienyl]cyclopropane

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=CC(=N2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations