Geometry & MOs

Info

ID:	255438
PubChem CID:	103132024
Reduced:	ClN4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	225.041738
ΔH_f, kcal/mol:	82.49
Dipole, Da:	4.86
IP(EA), eV:	-9.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methoxy-6-(1-methylpyrazol-3-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC=NC=C2Cl

DOS

IR

Vibrations