Geometry & MOs

Info

ID:	30317
PubChem CID:	841128
Reduced:	ClO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	331.00693
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	1.81
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-5-iodo-4-propan-2-yloxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations