Geometry & MOs

Info

ID:	29603
PubChem CID:	835742
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	341.105193
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	3.26
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzoxazol-2-yl)phenyl] 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations