Geometry & MOs

Info

ID:	176556
PubChem CID:	76066031
Reduced:	H4N4O4C7 (1)
Stoich.:	A4B4C4D7 (1)
Weight, g/mol:	375.02368
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	2.98
IP(EA), eV:	-11.6(-3.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-bromo-1-(4-chlorophenyl)-3-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=NC(=O)NC(=O)C2=N1

DOS

IR

Vibrations