Geometry & MOs

Info

ID:	293982
PubChem CID:	117420804
Reduced:	ClO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	266.107357
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	4.63
IP(EA), eV:	-9.27(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)butanal

Drug info:

PubChemData

Smile

CC(CC=O)C1=CC(=CC(=C1)Cl)OCC2CCC2

DOS

IR

Vibrations