Geometry & MOs

Info

ID:	258906
PubChem CID:	103157394
Reduced:	N2O4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-197.71
Dipole, Da:	4.33
IP(EA), eV:	-9.75(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NCC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations