Geometry & MOs

Info

ID:	146338
PubChem CID:	53671790
Reduced:	ON4C16H34 (1)
Stoich.:	AB4C16D34 (1)
Weight, g/mol:	515.224755
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	2.55
IP(EA), eV:	-9.75(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-4-(4-fluorophenyl)-3-[2-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-ol

Drug info:

PubChemData

Smile

CCCCCCCNC(=O)NC(=NCCCCCCC)N

DOS

IR

Vibrations