Geometry & MOs

Info

ID:	324245
PubChem CID:	126677224
Reduced:	OSN8H34C36 (1)
Stoich.:	ABC8D34E36 (1)
Weight, g/mol:	286.98071
ΔH_f, kcal/mol:	203.85
Dipole, Da:	9.97
IP(EA), eV:	-7.72(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-iodoethyl)-1H-indol-5-ol

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=N/C(=C\3/C4=C(C(=CS4)CC5=CC6=N/C(=C\7/C8=C(C=CC(=C8)NC9CCNC9)NN7)/C=C6C=C5)NN3)/C=C2C=C1)O

DOS

IR

Vibrations