Geometry & MOs

Info

ID:	375800
PubChem CID:	134221790
Reduced:	N3S5C24H53 (1)
Stoich.:	A3B5C24D53 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	223.44
Dipole, Da:	1.63
IP(EA), eV:	-6.31(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylpyridin-2-yl)-2-[(3E)-6-methylhepta-3,5-dien-3-yl]oxyethanone

Drug info:

PubChemData

Smile

CS(C)(C=C)N(CCN(S(C)(C)C=C)S(C)(C)C=C)CCN(S(C)(C)C=C)S(C)(C)C=C

DOS

IR

Vibrations