Geometry & MOs

Info

ID:	183858
PubChem CID:	77082640
Reduced:	F2O2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	5.59
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(furan-2-yl)benzamide

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(CC)CC2=C(C=CC(=C2F)F)OC

DOS

IR

Vibrations