Geometry & MOs

Info

ID:	327632
PubChem CID:	126690566
Reduced:	ClN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	427.01816
ΔH_f, kcal/mol:	4.73
Dipole, Da:	2.7
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[2-(iodoamino)pyridin-4-yl]pyridin-3-yl]-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1C=C(C=CC1C2(CCNCC2)N)Cl

DOS

IR

Vibrations