Geometry & MOs

Info

ID:	22057
PubChem CID:	595913
Reduced:	ClN6H13C14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	300.089022
ΔH_f, kcal/mol:	148.65
Dipole, Da:	4.73
IP(EA), eV:	-9.13(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=CN2N=CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations