Geometry & MOs

Info

ID:	169255
PubChem CID:	75080583
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	1.7
IP(EA), eV:	-8.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-hydroxy-3-methylbut-2-enyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile

Drug info:

PubChemData

Smile

CC(=CCC1C2=CC(=C(C=C2CCN1)OC)OC)CO

DOS

IR

Vibrations