Geometry & MOs

Info

ID:	84932
PubChem CID:	49870731
Reduced:	ClFN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	402.0076
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	3.51
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-3-(methoxymethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC(=C(C=C3)Cl)F

DOS

IR

Vibrations