Geometry & MOs

Info

ID:	293124
PubChem CID:	117374289
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-58.06
Dipole, Da:	3.77
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-aminopropan-2-yl)-2,2,4-trimethyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2CCCC2)C(=O)CCN

DOS

IR

Vibrations