Geometry & MOs

Info

ID:	210888
PubChem CID:	80868830
Reduced:	BrClN5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	253.084271
ΔH_f, kcal/mol:	68.99
Dipole, Da:	2.76
IP(EA), eV:	-8.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3-methylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=NC(=NC=C2Br)NC

DOS

IR

Vibrations