Geometry & MOs

Info

ID:	259167
PubChem CID:	103158468
Reduced:	N3O5C12H23 (1)
Stoich.:	A3B5C12D23 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-224.21
Dipole, Da:	4.42
IP(EA), eV:	-9.02(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NCCN1CCOCC1

DOS

IR

Vibrations