Geometry & MOs

Info

ID:	158912
PubChem CID:	57244192
Reduced:	NO5C37H41 (1)
Stoich.:	AB5C37D41 (1)
Weight, g/mol:	494.314458
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	3.37
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,4-dimethoxyphenyl)-5-[(3R)-6,7-dimethoxy-2-propyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-propan-2-ylpentanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CCCCCCOC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(CCC(=O)O)CC(=O)O

DOS

IR

Vibrations