Geometry & MOs

Info

ID:	195000
PubChem CID:	78618995
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	374.131366
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	2.28
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations