Geometry & MOs

Info

ID:	367430
PubChem CID:	127324608
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-27.57
Dipole, Da:	4.0
IP(EA), eV:	-9.13(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-3-ylmethyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-methylurea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCC(C3)N4CCCC4

DOS

IR

Vibrations