Geometry & MOs

Info

ID:	294253
PubChem CID:	117443233
Reduced:	ClF2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	276.139326
ΔH_f, kcal/mol:	-188.34
Dipole, Da:	6.58
IP(EA), eV:	-9.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-1-methylindol-5-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2(CC2)CC(=O)O)F)Cl)F

DOS

IR

Vibrations