Geometry & MOs

Info

ID:	67095
PubChem CID:	46505864
Reduced:	O3N5C30H31 (1)
Stoich.:	A3B5C30D31 (1)
Weight, g/mol:	536.278741
ΔH_f, kcal/mol:	49.84
Dipole, Da:	10.69
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-2,5-bis[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CN1C/C(=C\C2=CC(=C(C=C2)OC)CN3N=CC=C3)/C(=O)/C(=C/C4=CC(=C(C=C4)OC)CN5N=CC=C5)/C1

DOS

IR

Vibrations