Geometry & MOs

Info

ID:	146435
PubChem CID:	53688531
Reduced:	N3O3C9H17 (1)
Stoich.:	A3B3C9D17 (1)
Weight, g/mol:	506.360739
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	4.23
IP(EA), eV:	-9.55(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1S,2S)-2-[1-methoxy-5,5-dimethyl-3-(oxan-2-yloxy)non-2-enyl]-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CN1CCC(=O)C(C1)C(=O)OC.C(=N)N

DOS

IR

Vibrations