Geometry & MOs

Info

ID:	210797
PubChem CID:	80857285
Reduced:	BrN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	340.06472
ΔH_f, kcal/mol:	51.54
Dipole, Da:	5.01
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N2C(=C(C(=N2)C)Br)C)C(C)C

DOS

IR

Vibrations