Geometry & MOs

Info

ID:	148597
PubChem CID:	53788265
Reduced:	O3C28H52 (1)
Stoich.:	A3B28C52 (1)
Weight, g/mol:	376.297745
ΔH_f, kcal/mol:	-191.2
Dipole, Da:	2.44
IP(EA), eV:	-9.61(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-7-[(1R,2S)-2-[4-methoxy-4-(1-methylcyclobutyl)butyl]-5-methylidenecyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CC.CC.CC1(CCC1)C(CCC[C@H]2CCC(=C)[C@@H]2C/C=C\CCCC(=O)OC)OC

DOS

IR

Vibrations