Geometry & MOs

Info

ID:	84717
PubChem CID:	49869418
Reduced:	OSN7H9C12 (1)
Stoich.:	ABC7D9E12 (1)
Weight, g/mol:	293.102508
ΔH_f, kcal/mol:	160.46
Dipole, Da:	2.49
IP(EA), eV:	-8.81(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8Z)-3-methyl-8-(4-phenylimidazol-2-ylidene)-2H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)N2C=N/C(=C\3/N=CC(=N3)C4=CC=CS4)/C2=NN1

DOS

IR

Vibrations