Geometry & MOs

Info

ID:	315229
PubChem CID:	126625157
Reduced:	ClC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	339.146203
ΔH_f, kcal/mol:	19.78
Dipole, Da:	2.03
IP(EA), eV:	-9.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(6-amino-5-chloropyrimidin-4-yl)oxypiperidin-1-yl]-4-(dimethylamino)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1C(C2=C1C=CC=C2Cl)C

DOS

IR

Vibrations