Geometry & MOs

Info

ID:	367260
PubChem CID:	127324037
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	375.15291
ΔH_f, kcal/mol:	10.09
Dipole, Da:	2.18
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations