Geometry & MOs

Info

ID:	156857
PubChem CID:	56394753
Reduced:	N3O5C21H37 (1)
Stoich.:	A3B5C21D37 (1)
Weight, g/mol:	444.04515
ΔH_f, kcal/mol:	-272.03
Dipole, Da:	0.81
IP(EA), eV:	-9.24(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(4-bromo-2-chlorobenzoyl)-methylamino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)C(C(C)C)NC(=O)CC(C)C

DOS

IR

Vibrations