Geometry & MOs

Info

ID:	6437
PubChem CID:	68618
Reduced:	IO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	399.04437
ΔH_f, kcal/mol:	-10.25
Dipole, Da:	3.21
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NCC(COC1=CC=CC2=C1C(=C(N2)C#N)I)O

DOS

IR

Vibrations