Geometry & MOs

Info

ID:	366315
PubChem CID:	127319780
Reduced:	ClON2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	390.03275
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	3.99
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations