Geometry & MOs

Info

ID:	441096
PubChem CID:	135233098
Reduced:	NC22H33 (1)
Stoich.:	AB22C33 (1)
Weight, g/mol:	339.168188
ΔH_f, kcal/mol:	19.44
Dipole, Da:	3.46
IP(EA), eV:	-8.1(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,6Z,8Z)-8-hydroxy-1-(methoxycarbonylamino)-5,9-dimethyl-10-oxododeca-1,6,8-trien-6-yl] formate

Drug info:

PubChemData

Smile

CCC(=C)C1=C(C=C(CC1=C)C(C)CC/C=C/NC(=C)CC)C

DOS

IR

Vibrations