Geometry & MOs

Info

ID:	131980
PubChem CID:	51285884
Reduced:	FO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	303.100777
ΔH_f, kcal/mol:	-65.13
Dipole, Da:	3.62
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-cyanophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations