Geometry & MOs

Info

ID:	317363
PubChem CID:	126636866
Reduced:	IO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	537.20577
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	2.65
IP(EA), eV:	-9.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorophenyl]-cyclopentylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](CCC1I)C

DOS

IR

Vibrations