Geometry & MOs

Info

ID:	360034
PubChem CID:	127300302
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-75.56
Dipole, Da:	1.05
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)NC3CCC4=C3C=CC=C4F

DOS

IR

Vibrations