Geometry & MOs

Info

ID:	198625
PubChem CID:	79127403
Reduced:	FOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-5.19
Dipole, Da:	2.47
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)oxolan-3-yl]-3,4-dihydro-2H-naphthalen-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CO2)CSC3=C(C=CC(=C3)F)N

DOS

IR

Vibrations