Geometry & MOs

Info

ID:	13425
PubChem CID:	231521
Reduced:	OC17H18 (1)
Stoich.:	AB17C18 (1)
Weight, g/mol:	238.135765
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	4.49
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10-methyl-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCC2)C3=C1C=C(C=C3)C(=O)C

DOS

IR

Vibrations