Geometry & MOs

Info

ID:	371215
PubChem CID:	127344367
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-125.18
Dipole, Da:	5.7
IP(EA), eV:	-8.62(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CCCCC1NC(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations