Geometry & MOs

Info

ID:	302219
PubChem CID:	124360356
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	4.31
IP(EA), eV:	-9.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](NCC2=CC=CC=C21)C(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations