Geometry & MOs

Info

ID:	169253
PubChem CID:	75080581
Reduced:	NF3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-271.91
Dipole, Da:	6.41
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC(=CCC1C2=CC(=C(C=C2CCN1C(=O)C(F)(F)F)OC)OC)C=O

DOS

IR

Vibrations