Geometry & MOs

Info

ID:	328287
PubChem CID:	126700563
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	517.268905
ΔH_f, kcal/mol:	-101.22
Dipole, Da:	7.14
IP(EA), eV:	-8.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[2-(dibenzylamino)-3-nitropyridin-4-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)OC1=CC2=C3C(=C1)OCCCN3C(=N2)C4=CC5=C(C=C4)OC(=N5)N

DOS

IR

Vibrations