Geometry & MOs

Info

ID:	353077
PubChem CID:	127284234
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	306.121572
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	5.06
IP(EA), eV:	-9.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations