Geometry & MOs

Info

ID:	246582
PubChem CID:	103061385
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	285.122575
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	2.84
IP(EA), eV:	-9.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-hydrazinylpyrazin-2-yl)methyl]-2-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN(CC1COCCC1O)CC2=CC(=CS2)Br

DOS

IR

Vibrations