Geometry & MOs

Info

ID:	68317
PubChem CID:	46508178
Reduced:	SN2O6C19H26 (1)
Stoich.:	AB2C6D19E26 (1)
Weight, g/mol:	470.192961
ΔH_f, kcal/mol:	-247.61
Dipole, Da:	6.05
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazol-2-yl)-phenylmethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)O

DOS

IR

Vibrations