Geometry & MOs

Info

ID:	382451
PubChem CID:	134973612
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-196.98
Dipole, Da:	2.95
IP(EA), eV:	-9.36(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z,2R,4S)-2-acetyloxy-4-methyl-2-[(1S)-1-methylcyclopent-2-en-1-yl]undec-6-enoate

Drug info:

PubChemData

Smile

CCCC/C=C\C[C@H](C)C[C@@](C(=O)OC)([C@]1(CCC=C1)C)OC(=O)C

DOS

IR

Vibrations