Geometry & MOs

Info

ID:	210813
PubChem CID:	80857385
Reduced:	N2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	360.93607
ΔH_f, kcal/mol:	94.45
Dipole, Da:	3.12
IP(EA), eV:	-8.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)N2C3=CC=CC=C3C=N2

DOS

IR

Vibrations