Geometry & MOs

Info

ID:	132095
PubChem CID:	51304786
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	7.1
IP(EA), eV:	-8.94(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)-2-oxoacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC(=O)NCCCN2C=CN=C2)OC

DOS

IR

Vibrations