Geometry & MOs

Info

ID:	283455
PubChem CID:	103982930
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-15.64
Dipole, Da:	3.14
IP(EA), eV:	-9.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-2-ylazepan-4-ol

Drug info:

PubChemData

Smile

C1CC(CCNC1)(CC2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations