Geometry & MOs

Info

ID:	151203
PubChem CID:	53790903
Reduced:	NO2C6H15 (1)
Stoich.:	AB2C6D15 (1)
Weight, g/mol:	541.240405
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	3.16
IP(EA), eV:	-9.1(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(COOCC)N

DOS

IR

Vibrations