Geometry & MOs

Info

ID:	161150
PubChem CID:	57390890
Reduced:	NO2C18H22 (2)
Stoich.:	AB2C18D22 (2)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	1.47
IP(EA), eV:	-8.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1-(4-phenyloxan-4-yl)piperidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCCCCCCNCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations