Geometry & MOs

Info

ID:	194473
PubChem CID:	78541855
Reduced:	BrNO2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	348.091707
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	3.1
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl)methyl 3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)COC3=CC4=C(C=C3)C=C(C=C4)Br

DOS

IR

Vibrations