Geometry & MOs

Info

ID:	432154
PubChem CID:	135172286
Reduced:	I2N3H9C16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	443.204528
ΔH_f, kcal/mol:	144.69
Dipole, Da:	2.6
IP(EA), eV:	-8.81(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-aminopiperidin-1-yl)-5-[(E)-1-[(methylideneamino)-(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl]pyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=NC=CC(=N4)I)C=C(C=C3)I

DOS

IR

Vibrations