Geometry & MOs

Info

ID:	372700
PubChem CID:	131302828
Reduced:	N6C7H10 (1)
Stoich.:	A6B7C10 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	91.05
Dipole, Da:	3.17
IP(EA), eV:	-9.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(4-oxo-6,7-dihydro-5H-1,2-benzoxazol-5-yl)amino]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C2=CC=NN2)N

DOS

IR

Vibrations