Geometry & MOs

Info

ID:	81728
PubChem CID:	49855059
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	71.1
Dipole, Da:	7.61
IP(EA), eV:	-8.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(6-propan-2-ylpyrrolo[3,2-e][1,3]benzoxazol-8-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)/C=C(\C#N)/C2=CNC3=C2C=C(C=C3)OC

DOS

IR

Vibrations