Geometry & MOs

Info

ID:	181508
PubChem CID:	76753911
Reduced:	O7C31H40 (1)
Stoich.:	A7B31C40 (1)
Weight, g/mol:	404.256274
ΔH_f, kcal/mol:	-280.24
Dipole, Da:	6.21
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl)-3-[2-[(4-methoxyphenyl)methoxy]cyclopentyl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C=CCC2C(OC(O2)(C)C)C(C=CCC(C)O)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations