Geometry & MOs

Info

ID:	46616
PubChem CID:	10525625
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-137.01
Dipole, Da:	7.17
IP(EA), eV:	-9.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N(CC(=O)OC)N(C(=O)C2=CC=CC(=C2)C)C(C)(C)C

DOS

IR

Vibrations