Geometry & MOs

Info

ID:	171694
PubChem CID:	75413978
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	3.24
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)N(C)C(C)C

DOS

IR

Vibrations