Geometry & MOs

Info

ID:	100063
PubChem CID:	50057957
Reduced:	BrO3N4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	498.263091
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	9.98
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations