Geometry & MOs

Info

ID:	61912
PubChem CID:	26715708
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	339.100777
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	5.04
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC4=C(C=C3)OC(=N4)C

DOS

IR

Vibrations