Geometry & MOs

Info

ID:	406343
PubChem CID:	135077267
Reduced:	FN7H12C13 (1)
Stoich.:	AB7C12D13 (1)
Weight, g/mol:	345.03376
ΔH_f, kcal/mol:	116.63
Dipole, Da:	3.21
IP(EA), eV:	-8.8(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=C(N=N2)NC3=CC=C(C=C3)F)C

DOS

IR

Vibrations