Geometry & MOs

Info

ID:	244313
PubChem CID:	99343942
Reduced:	ClO2N4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	390.149204
ΔH_f, kcal/mol:	50.82
Dipole, Da:	4.49
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-fluorophenyl)furan-2-yl]-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CN(N=C3)CC4=CC=NC=C4)Cl

DOS

IR

Vibrations