Geometry & MOs

Info

ID:	244314
PubChem CID:	99343943
Reduced:	FO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	387.180758
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	3.6
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)-5-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)CCC(=O)NC3=CN(N=C3)CC4=CC=NC=C4)F

DOS

IR

Vibrations