Geometry & MOs

Info

ID:	258771
PubChem CID:	103156943
Reduced:	N2O5C12H22 (1)
Stoich.:	A2B5C12D22 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-224.99
Dipole, Da:	6.8
IP(EA), eV:	-9.15(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)COC1CCNCC1

DOS

IR

Vibrations