Geometry & MOs

Info

ID:	369005
PubChem CID:	127331109
Reduced:	O2N5C13H23 (1)
Stoich.:	A2B5C13D23 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	8.34
IP(EA), eV:	-9.93(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)NCCN2C=NC=N2)O

DOS

IR

Vibrations