Geometry & MOs

Info

ID:	285043
PubChem CID:	104092714
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	6.85
IP(EA), eV:	-9.64(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-pent-4-ynyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CCCC#C

DOS

IR

Vibrations