Geometry & MOs

Info

ID:	242791
PubChem CID:	99206341
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	6.16
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-phenylmethoxypyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=CC=C(C=C2)C(=O)NCCC3=C(C(=CC=C3)Cl)Cl)C(=O)N

DOS

IR

Vibrations