Geometry & MOs

Info

ID:	188543
PubChem CID:	77730828
Reduced:	FN4O4C24H39 (1)
Stoich.:	AB4C4D24E39 (1)
Weight, g/mol:	520.351672
ΔH_f, kcal/mol:	-256.69
Dipole, Da:	5.49
IP(EA), eV:	-9.16(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[difluoro-[4-(4-pent-3-enylcyclohexyl)phenyl]methoxy]ethyl]-4-(4-prop-1-enylcyclohexyl)benzene

Drug info:

PubChemData

Smile

CC1C2C(C(C(C1F)N3CCC(C3)C(C)NC(=O)OC(C)(C)C)C)N(C(=O)NC2=O)C4CC4

DOS

IR

Vibrations