Geometry & MOs

Info

ID:	67094
PubChem CID:	46505863
Reduced:	O3N4C30H30 (1)
Stoich.:	A3B4C30D30 (1)
Weight, g/mol:	509.24269
ΔH_f, kcal/mol:	38.77
Dipole, Da:	5.55
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methylidene]-1-methylpiperidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)CN4N=CC=C4)/CCC2)CN5N=CC=C5

DOS

IR

Vibrations