Geometry & MOs

Info

ID:	180728
PubChem CID:	76675777
Reduced:	YN2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	510.263091
ΔH_f, kcal/mol:	236.35
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.970352
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[4-hydroxy-1-[4-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC2=NC=C[C-]=C2.CCC1=CC=C[C-]=C1.[Y]

DOS

IR

Vibrations