Geometry & MOs

Info

ID:	184545
PubChem CID:	77174805
Reduced:	ClO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	273.051634
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	3.5
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(6-chloro-3-nitropyridin-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=N1)Cl)N

DOS

IR

Vibrations