Geometry & MOs

Info

ID:	178902
PubChem CID:	76399159
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-139.25
Dipole, Da:	5.67
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N-[1-(3-methylpyridin-2-yl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1C(=CC2=NC(=O)C(=CC2=C1OC)CN3CCCC3C(=O)N)OC

DOS

IR

Vibrations