Geometry & MOs

Info

ID:	210928
PubChem CID:	80871390
Reduced:	ClON5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	302.068287
ΔH_f, kcal/mol:	8.51
Dipole, Da:	5.36
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methoxy]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)N)OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations