Geometry & MOs

Info

ID:	427421
PubChem CID:	135158818
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	4.54
IP(EA), eV:	-8.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-ethyl-1,3-benzoxazol-6-yl)-1-(2-methylidene-5-piperazin-1-ylpyridin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CN2C1=NC(=CC2=O)C3=CC(=C(C=C3)OC)OC)N4CCN5CCC(=C)[C@H]5C4

DOS

IR

Vibrations