Geometry & MOs

Info

ID:	186637
PubChem CID:	77458285
Reduced:	SF3N3O7C38H44 (1)
Stoich.:	AB3C3D7E38F44 (1)
Weight, g/mol:	175.1361
ΔH_f, kcal/mol:	-405.42
Dipole, Da:	8.54
IP(EA), eV:	-8.58(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hept-4-en-3-ylpyridine

Drug info:

PubChemData

Smile

CCCC1C(CCCN1C(=O)C2=C(C=CC=N2)C(F)(F)F)(C(=O)N3CCC(CC3)(C4=CC=CC=C4OC5CCC(C5)C(=O)O)O)OC6=CSC(=C6)C

DOS

IR

Vibrations