Geometry & MOs

Info

ID:	83869
PubChem CID:	49862065
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	475.187399
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	2.27
IP(EA), eV:	-8.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-3-[[5-oxo-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pentanoyl]amino]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)CCC(=O)NC(CC(=O)O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations