Geometry & MOs

Info

ID:	56206
PubChem CID:	17422549
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	378.12628
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	5.31
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations