Geometry & MOs

Info

ID:	366268
PubChem CID:	127319725
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	324.133474
ΔH_f, kcal/mol:	-56.48
Dipole, Da:	6.94
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C=CN=C2CN1C(=O)CCN3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations