Geometry & MOs

Info

ID:	302470
PubChem CID:	124361877
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-197.76
Dipole, Da:	5.76
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCOC)NC(=O)[C@@H]1CC(=O)N(C1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations