Geometry & MOs

Info

ID:	113053
PubChem CID:	50429903
Reduced:	BrO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	6.78
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)Br)C

DOS

IR

Vibrations