Geometry & MOs

Info

ID:	164272
PubChem CID:	74382680
Reduced:	BrOSF3N4C21H22 (1)
Stoich.:	ABCD3E4F21G22 (1)
Weight, g/mol:	461.221561
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	5.58
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-5-(2-phenylethenyl)pyridin-3-yl]-[6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NC(CC2=CC=CC=C2C(F)(F)F)CN)C3=C(C=NN3C)Br

DOS

IR

Vibrations