Geometry & MOs

Info

ID:	196195
PubChem CID:	78794675
Reduced:	ClSO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	2.49
IP(EA), eV:	-8.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations