Geometry & MOs

Info

ID:	147094
PubChem CID:	53786747
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	537.229742
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	4.61
IP(EA), eV:	-8.67(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyano-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl-3-morpholin-4-ylpropan-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1(C2=C(CC3C1(CCN3C=O)C)C(=CC=C2)OC)C

DOS

IR

Vibrations