Geometry & MOs

Info

ID:	348778
PubChem CID:	127273889
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	2.61
IP(EA), eV:	-8.44(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC=C(C=C3)OCC4CCCCC4

DOS

IR

Vibrations