Geometry & MOs

Info

ID:	94797
PubChem CID:	50003978
Reduced:	BrO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	492.310041
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	8.06
IP(EA), eV:	-8.83(-0.44)
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-(3,4-dimethylphenyl)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=CC=C(C=C3)Br

DOS

IR

Vibrations