Geometry & MOs

Info

ID:	61623
PubChem CID:	26711193
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	6.93
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

DOS

IR

Vibrations