Geometry & MOs

Info

ID:	257000
PubChem CID:	103143004
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	373.01749
ΔH_f, kcal/mol:	78.69
Dipole, Da:	6.16
IP(EA), eV:	-9.59(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-4-[(5-methyloxolan-2-yl)methyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations