Geometry & MOs

Info

ID:	192099
PubChem CID:	78228156
Reduced:	N2O3C25H36 (1)
Stoich.:	A2B3C25D36 (1)
Weight, g/mol:	418.053421
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	2.81
IP(EA), eV:	-9.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dichlorophenyl)methylideneamino]-3-(5-phenylpyrazolidin-3-yl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)CN(C3CCCCC3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations