Geometry & MOs

Info

ID:	299473
PubChem CID:	117683210
Reduced:	F3O3N5C24H30 (1)
Stoich.:	A3B3C5D24E30 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-233.18
Dipole, Da:	3.39
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-hydroxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=NC=NC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O)CC(F)(F)F

DOS

IR

Vibrations