Geometry & MOs

Info

ID:	371676
PubChem CID:	131270310
Reduced:	NC7H15 (1)
Stoich.:	AB7C15 (1)
Weight, g/mol:	188.058578
ΔH_f, kcal/mol:	-15.97
Dipole, Da:	1.7
IP(EA), eV:	-9.12(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-6-oxo-2H-1,2-benzoxazol-7-yl)acetonitrile

Drug info:

PubChemData

Smile

C/C=C/CC(C)(C)N

DOS

IR

Vibrations