Geometry & MOs

Info

ID:	442976
PubChem CID:	135257224
Reduced:	SO2N5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	513.216475
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	7.04
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[4-[hydroxy(phenyl)methyl]piperazine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN2C=NC=C2C(=C1)N3CCN(C(C3)(C)C)S(=O)(=O)C

DOS

IR

Vibrations