Geometry & MOs

Info

ID:	107667
PubChem CID:	50213988
Reduced:	FO5N6C28H35 (1)
Stoich.:	AB5C6D28E35 (1)
Weight, g/mol:	534.24539
ΔH_f, kcal/mol:	-242.55
Dipole, Da:	3.03
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F

DOS

IR

Vibrations