Geometry & MOs

Info

ID:	292981
PubChem CID:	117368078
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	6.45
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(2-methylpyrrolidin-2-yl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CC2CCCCN2)C#N)O

DOS

IR

Vibrations