Geometry & MOs

Info

ID:	328284
PubChem CID:	126700547
Reduced:	BrON4H13C18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	370.140783
ΔH_f, kcal/mol:	80.48
Dipole, Da:	3.72
IP(EA), eV:	-9.01(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)Br)N=C2C4=CC5=NC=NC=C5C=C4

DOS

IR

Vibrations