Geometry & MOs

Info

ID:	172420
PubChem CID:	75508269
Reduced:	ClSN4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	350.08135
ΔH_f, kcal/mol:	101.45
Dipole, Da:	6.69
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC(=NS2)C3=CC=NC=C3)Cl

DOS

IR

Vibrations