Geometry & MOs

Info

ID:	326902
PubChem CID:	126688606
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-169.46
Dipole, Da:	4.62
IP(EA), eV:	-8.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-4-(2-oxo-1,3-oxazinan-3-yl)anilino]butyl acetate

Drug info:

PubChemData

Smile

C[C@H](CCOC(=O)C)NC1=C(C=C(C=C1)N2CCCOC2=O)N

DOS

IR

Vibrations