Geometry & MOs

Info

ID:	107635
PubChem CID:	50212007
Reduced:	BrFO3N4C27H34 (1)
Stoich.:	ABC3D4E27F34 (1)
Weight, g/mol:	532.200796
ΔH_f, kcal/mol:	-154.45
Dipole, Da:	8.0
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations