Geometry & MOs

Info

ID:	198611
PubChem CID:	79125153
Reduced:	ClNOC18H28 (1)
Stoich.:	ABCD18E28 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	1.78
IP(EA), eV:	-9.31(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dimethylphenyl)-hydroxymethyl]-2,3-dihydroindene-1-carbonitrile

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)(CN)C(C)(C2=CC=CC=C2Cl)O

DOS

IR

Vibrations