Geometry & MOs

Info

ID:	217251
PubChem CID:	85087504
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	346.01635
ΔH_f, kcal/mol:	-164.82
Dipole, Da:	2.02
IP(EA), eV:	-9.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-[4-[4-(1-chloro-3-oxoprop-1-enyl)phenoxy]phenyl]prop-2-enal

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(C2=CC=CC=C2)OC(C)(C)C)C(C)C

DOS

IR

Vibrations