Geometry & MOs

Info

ID:	234542
PubChem CID:	92298646
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	593.94135
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	7.39
IP(EA), eV:	-9.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(benzotriazol-1-yl)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations