Geometry & MOs

Info

ID:	176727
PubChem CID:	76088903
Reduced:	FO3N7C26H26 (1)
Stoich.:	AB3C7D26E26 (1)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	-1.42
Dipole, Da:	5.76
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]pentanedioate

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CC=N3)C4NNNN4)C5=C(C=CC=C5F)C(=O)O

DOS

IR

Vibrations