Geometry & MOs

Info

ID:	448580
PubChem CID:	135292071
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	468.319229
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	3.13
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,5-dimethyl-4-(3-phenylprop-1-en-2-yl)cyclohexyl]methyl]-3-(3-fluorophenyl)-5-propan-2-ylcyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CCC(C)NCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations