Geometry & MOs

Info

ID:	149259
PubChem CID:	53788931
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-29.1
Dipole, Da:	5.19
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCSC2=CC=C(C=C2)N

DOS

IR

Vibrations