Geometry & MOs

Info

ID:	185184
PubChem CID:	77266906
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	509.290309
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	4.1
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(1-ethylpiperidin-4-yl)-hydroxymethyl]phenyl]ethylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C(CCN1CC2=CC=C(C=C2)C3=CC=CS3)NC4=C(C=CC=N4)C(=O)OC(C)C

DOS

IR

Vibrations