Geometry & MOs

Info

ID:	159484
PubChem CID:	57288161
Reduced:	OSC3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	277.085127
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	4.61
IP(EA), eV:	-9.34(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl-hydroxy-pyrimidin-5-ylmethyl)benzonitrile

Drug info:

PubChemData

Smile

CCC(=O)SSC(C)C=O

DOS

IR

Vibrations