Geometry & MOs

Info

ID:	148670
PubChem CID:	53788338
Reduced:	NC16H31 (2)
Stoich.:	AB16C31 (2)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	-107.06
Dipole, Da:	4.06
IP(EA), eV:	-9.09(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butylphenyl)-5-pent-3-enylpyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCC)C1=NC=CN1

DOS

IR

Vibrations