Geometry & MOs

Info

ID:	58639
PubChem CID:	24712380
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	49.62
Dipole, Da:	3.66
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6,7-dimethoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4CC4)N5CCCC5

DOS

IR

Vibrations