Geometry & MOs

Info

ID:	328285
PubChem CID:	126700556
Reduced:	ClN4O4C16H23 (1)
Stoich.:	AB4C4D16E23 (1)
Weight, g/mol:	531.284555
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	9.84
IP(EA), eV:	-9.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNC2=C(C(=NC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations