Geometry & MOs

Info

ID:	181765
PubChem CID:	76790444
Reduced:	NOYC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	642.29325
ΔH_f, kcal/mol:	50.06
Dipole, Da:	4.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838357
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-difluoro-4-pent-3-enylphenyl)-4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohex-3-en-1-yl]cyclohexyl]methoxy]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

C[C-](CC[CH2-])C1(CC1)C(=O)NCC2=CC=CC=C2.[Y]

DOS

IR

Vibrations