Geometry & MOs

Info

ID:	49038
PubChem CID:	11528642
Reduced:	SN3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	219.019939
ΔH_f, kcal/mol:	63.71
Dipole, Da:	6.61
IP(EA), eV:	-8.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1CN2C3=CC=CC=C3N=C2SC1

DOS

IR

Vibrations