Geometry & MOs

Info

ID:	336651
PubChem CID:	127255658
Reduced:	BrClNC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-21.27
Dipole, Da:	5.77
IP(EA), eV:	-9.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-nitropyridine-4-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(C1)C2=CC=C(C=C2)Br.Cl

DOS

IR

Vibrations