Geometry & MOs

Info

ID:	138361
PubChem CID:	52354018
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	394.258006
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	3.89
IP(EA), eV:	-8.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(C=CC(=C1)OC)OC)C2CCCC2

DOS

IR

Vibrations