Geometry & MOs

Info

ID:	341328
PubChem CID:	127264021
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	306.97232
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	1.51
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-bromo-6-chloropyrazin-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C=C2)O)NC1=O

DOS

IR

Vibrations