Geometry & MOs

Info

ID:	449392
PubChem CID:	135298241
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	277.123342
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	5.96
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-1H-indol-2-yl)methyl]-4-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(=CC2=CC3=C(N2)C=CC(=C3)C(=O)OC)CC1

DOS

IR

Vibrations