Geometry & MOs

Info

ID:	126631
PubChem CID:	50970902
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	6.49
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-5-phenoxy-1-[(1-propylpyrazol-4-yl)methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN2CCN(CC2)CCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations