Geometry & MOs

Info

ID:	393894
PubChem CID:	135021921
Reduced:	O2C12H15 (2)
Stoich.:	A2B12C15 (2)
Weight, g/mol:	306.021435
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	1.58
IP(EA), eV:	-9.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-2-chloro-2-(3-chlorophenyl)ethenyl]benzoate

Drug info:

PubChemData

Smile

CC1CCC2C1C(C3(CC(=O)C2(O3)C)C(C)C)OC(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations