Geometry & MOs

Info

ID:	142297
PubChem CID:	53012151
Reduced:	N3O5H15C18 (1)
Stoich.:	A3B5C15D18 (1)
Weight, g/mol:	413.158685
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	9.17
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=NOC(=N3)C4=C(C=C(C=C4)OC)OC)OC1=O

DOS

IR

Vibrations