Geometry & MOs

Info

ID:	395663
PubChem CID:	135026182
Reduced:	NO3H21C27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	312.091707
ΔH_f, kcal/mol:	28.18
Dipole, Da:	3.65
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-(1-chloro-2-phenylethenyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1\2C(C(C=N1)C(=O)C3=CC=CC=C3)C4=CC=CC=C4/C2=C/C5=CC=CC=C5

DOS

IR

Vibrations