Geometry & MOs

Info

ID:	312781
PubChem CID:	126608620
Reduced:	PN4O7C17H21 (1)
Stoich.:	AB4C7D17E21 (1)
Weight, g/mol:	676.2002
ΔH_f, kcal/mol:	-261.95
Dipole, Da:	4.21
IP(EA), eV:	-9.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-but-3-enyl-2-(4-iodocyclohexyl)cyclohexyl]-1-(4-iodocyclohexyl)-4-[(E)-prop-1-enyl]cyclohexane

Drug info:

PubChemData

Smile

CC(C)OC(=O)CNP(OC1=CC=CC=C1)ON=C2C(=O)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations