Geometry & MOs

Info

ID:	181697
PubChem CID:	76778681
Reduced:	ClO4N5H24C30 (1)
Stoich.:	AB4C5D24E30 (1)
Weight, g/mol:	246.081143
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	6.81
IP(EA), eV:	-8.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-9-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-5-ol

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC3=C2C(CN3C(=O)C4=CN(N=N4)C5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)O)CCl)O

DOS

IR

Vibrations