Geometry & MOs

Info

ID:	230001
PubChem CID:	87569851
Reduced:	OSC7H14 (1)
Stoich.:	ABC7D14 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	4.79
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[(Z)-N'-hydroxycarbamimidoyl]-5-methyl-1-(4-oxoheptyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCOC=S

DOS

IR

Vibrations