Geometry & MOs

Info

ID:	298915
PubChem CID:	117664333
Reduced:	NO3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	318.065887
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	4.21
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-6-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]benzoate

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)NC2=CC=CC=C2)/C=C/C3=CC=CC=C3)OC

DOS

IR

Vibrations