Geometry & MOs

Info

ID:	373222
PubChem CID:	131311839
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	306.01168
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	4.86
IP(EA), eV:	-9.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-3-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CN=C1)C=O)SC

DOS

IR

Vibrations