Geometry & MOs

Info

ID:	354513
PubChem CID:	127287062
Reduced:	O3N5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-72.11
Dipole, Da:	4.37
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)N(C)CCN2CCOCC2

DOS

IR

Vibrations