Geometry & MOs

Info

ID:	323239
PubChem CID:	126673758
Reduced:	BrON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	61.5
Dipole, Da:	7.23
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-2-oxo-3-[5-[(E)-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-1H-pyridin-2-ylidene]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC(=N2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations