Geometry & MOs

Info

ID:	58419
PubChem CID:	24698322
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	5.91
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-2-ylmethoxymethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CC(CC2C(=O)O)OC

DOS

IR

Vibrations