Geometry & MOs

Info

ID:	60751
PubChem CID:	26701757
Reduced:	BrN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	442.165935
ΔH_f, kcal/mol:	-144.72
Dipole, Da:	5.53
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations