Geometry & MOs

Info

ID:	258705
PubChem CID:	103156485
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	3.82
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-3-methoxybutanoyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(COC2=C(C=C(C=C2Cl)Cl)CN)O

DOS

IR

Vibrations