Geometry & MOs

Info

ID:	60897
PubChem CID:	26702954
Reduced:	ClN3O6H14C23 (1)
Stoich.:	AB3C6D14E23 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	5.78
IP(EA), eV:	-9.04(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S)-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)/C=C/C(=O)OC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations