Geometry & MOs

Info

ID:	367190
PubChem CID:	127323958
Reduced:	OSN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-3.17
Dipole, Da:	2.62
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations