Geometry & MOs

Info

ID:	391133
PubChem CID:	135003045
Reduced:	ClNC18H30 (1)
Stoich.:	ABC18D30 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	3.06
IP(EA), eV:	-8.13(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1N)C(C)C)CCCCCCCl

DOS

IR

Vibrations