Geometry & MOs

Info

ID:	67010
PubChem CID:	46505695
Reduced:	O5C29H36 (1)
Stoich.:	A5B29C36 (1)
Weight, g/mol:	492.287574
ΔH_f, kcal/mol:	-157.25
Dipole, Da:	4.89
IP(EA), eV:	-7.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,5Z)-2,5-bis[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1C/C(=C\C2=CC(=C(C=C2)OC(C)C)OC)/C(=O)/C(=C\C3=CC(=C(C=C3)OC(C)C)OC)/C1

DOS

IR

Vibrations