Geometry & MOs

Info

ID:	344243
PubChem CID:	127267419
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	220.064806
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	1.9
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)N[C@H]1CCO[C@@H]1C2=NC=CN2C3=CC=CC=C3

DOS

IR

Vibrations