Geometry & MOs

Info

ID:	85190
PubChem CID:	49872254
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	312.077789
ΔH_f, kcal/mol:	55.17
Dipole, Da:	6.16
IP(EA), eV:	-8.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[3-(4-methylpyridin-3-yl)-2-oxoimidazolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC4=C(C=C3)N(N=C4)C

DOS

IR

Vibrations