Geometry & MOs

Info

ID:	396180
PubChem CID:	135027626
Reduced:	PCl2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	161.120449
ΔH_f, kcal/mol:	98.71
Dipole, Da:	12.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802345
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylbut-3-enyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=NC(=NC(=N4)Cl)Cl

DOS

IR

Vibrations