Geometry & MOs

Info

ID:	309797
PubChem CID:	126559144
Reduced:	FPCl2N6O7C22H26 (1)
Stoich.:	ABC2D6E7F22G26 (1)
Weight, g/mol:	126.054161
ΔH_f, kcal/mol:	-343.69
Dipole, Da:	4.0
IP(EA), eV:	-9.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-methylidene-1H-1,2,3,5-tetrazin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1C([C@]([C@@H](O1)N2C=NC3=C2N=C(N=C3Cl)N)(F)Cl)O)OC4=CC=CC=C4

DOS

IR

Vibrations