Geometry & MOs

Info

ID:	46361
PubChem CID:	10524068
Reduced:	O3C11H12 (2)
Stoich.:	A3B11C12 (2)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-210.27
Dipole, Da:	0.75
IP(EA), eV:	-9.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-nitrophenyl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC=CC=C1)OC(=O)[C@H](C2=CC=CC=C2)OC3CCCCO3

DOS

IR

Vibrations