Geometry & MOs

Info

ID:	307515
PubChem CID:	125307289
Reduced:	O3N5H25C28 (1)
Stoich.:	A3B5C25D28 (1)
Weight, g/mol:	335.138225
ΔH_f, kcal/mol:	94.43
Dipole, Da:	3.38
IP(EA), eV:	-8.74(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=C2C=CC=CC2=N1)/C=N\NC(=O)C3=NN=C(C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

DOS

IR

Vibrations