Geometry & MOs

Info

ID:	169772
PubChem CID:	75145578
Reduced:	ClO2N3C29H38 (1)
Stoich.:	AB2C3D29E38 (1)
Weight, g/mol:	460.282489
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	5.31
IP(EA), eV:	-9.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3,5-diacetyloxycyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl acetate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C(C)C3NC4CC(CCC4C(=O)N3)Cl

DOS

IR

Vibrations