Geometry & MOs

Info

ID:	234055
PubChem CID:	92297630
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	581.96651
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	3.31
IP(EA), eV:	-9.76(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)OCC1=CC=CC=C1

DOS

IR

Vibrations