Geometry & MOs

Info

ID:	29206
PubChem CID:	832309
Reduced:	NO2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	5.13
IP(EA), eV:	-9.14(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations