Geometry & MOs

Info

ID:	298545
PubChem CID:	117650936
Reduced:	ClFON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	373.261694
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	3.19
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(4-propan-2-ylcyclohexyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C3(CCN(CC3)Cl)OC4=C2C=C(C=C4)F

DOS

IR

Vibrations