Geometry & MOs

Info

ID:	234190
PubChem CID:	92297892
Reduced:	I2N2O2C19H20 (1)
Stoich.:	A2B2C2D19E20 (1)
Weight, g/mol:	573.99781
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	3.16
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclohexylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1COCCN1C[C@H](CN2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I)O

DOS

IR

Vibrations