Geometry & MOs

Info

ID:	227110
PubChem CID:	87560207
Reduced:	OC24H38 (1)
Stoich.:	AB24C38 (1)
Weight, g/mol:	460.35526
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	1.94
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl hydrogen carbonate;(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaen-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCC/C=C/C=C\C=C/C=C/C=C/C(=C/O)/CC

DOS

IR

Vibrations