Geometry & MOs

Info

ID:	76131
PubChem CID:	48424483
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	4.34
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-(methoxycarbonylamino)-3-phenylpropanoyl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC1=CC(=CC=C1)Br)OCC2CC2

DOS

IR

Vibrations