Geometry & MOs

Info

ID:	155937
PubChem CID:	56368378
Reduced:	F2N2O2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	488.0826
ΔH_f, kcal/mol:	-162.38
Dipole, Da:	5.17
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O)CC(F)F

DOS

IR

Vibrations