Geometry & MOs

Info

ID:	348784
PubChem CID:	127273895
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	3.63
IP(EA), eV:	-9.45(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-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)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations