Geometry & MOs

Info

ID:	180338
PubChem CID:	76617134
Reduced:	IO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	443.193295
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	3.49
IP(EA), eV:	-9.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]-N-(1H-indol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C=C(CCCI)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations