Geometry & MOs

Info

ID:	258579
PubChem CID:	103155356
Reduced:	O2N3C14H27 (1)
Stoich.:	A2B3C14D27 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	5.25
IP(EA), eV:	-8.89(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCC(CC1)N2CCCC2)CN

DOS

IR

Vibrations