Geometry & MOs

Info

ID:	94802
PubChem CID:	50003991
Reduced:	BrO3N4C29H39 (1)
Stoich.:	AB3C4D29E39 (1)
Weight, g/mol:	532.266125
ΔH_f, kcal/mol:	-140.62
Dipole, Da:	5.36
IP(EA), eV:	-8.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C(=C3)C)C)Br

DOS

IR

Vibrations