Geometry & MOs

Info

ID:	224317
PubChem CID:	85341370
Reduced:	FNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-197.74
Dipole, Da:	4.09
IP(EA), eV:	-8.71(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(prop-2-enoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCCSCCCOC(=O)N1C2CCC1C(C(=O)C2)F

DOS

IR

Vibrations