Geometry & MOs

Info

ID:	406773
PubChem CID:	135078583
Reduced:	NO3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	399.099921
ΔH_f, kcal/mol:	-152.77
Dipole, Da:	3.39
IP(EA), eV:	-9.2(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4,6-bis(4-pyrazol-1-ylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1(COC(N1C(=O)OCCC(C)(C)C/C=C\C2=CC=CC=C2)(C)C)C

DOS

IR

Vibrations