Geometry & MOs

Info

ID:	78423
PubChem CID:	49689577
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	395.145676
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	5.22
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations