Geometry & MOs

Info

ID:	23989
PubChem CID:	607330
Reduced:	BrON6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	350.04907
ΔH_f, kcal/mol:	75.09
Dipole, Da:	3.03
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-1,3,7-trimethyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one

Drug info:

PubChemData

Smile

CC1=NN=C2N(NC(NN2C1=O)(C)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations