Geometry & MOs

Info

ID:	365556
PubChem CID:	127318021
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	3.15
IP(EA), eV:	-9.57(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylcyclohexyl)-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)NCC3(CCOC3)C

DOS

IR

Vibrations