Geometry & MOs

Info

ID:	26124
PubChem CID:	639072
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	305.981027
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	3.66
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dichloro-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C(C=C1)/C=C/C2=CC=CC=C2)NC(C)C

DOS

IR

Vibrations