Geometry & MOs

Info

ID:	304522
PubChem CID:	124756154
Reduced:	N6C15H16 (1)
Stoich.:	A6B15C16 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	125.15
Dipole, Da:	4.48
IP(EA), eV:	-8.95(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=NN3C=CC=NC3=N2)C4=CC=CC=N4

DOS

IR

Vibrations