Geometry & MOs

Info

ID:	368463
PubChem CID:	127328748
Reduced:	OF3N5C18H28 (1)
Stoich.:	AB3C5D18E28 (1)
Weight, g/mol:	359.193295
ΔH_f, kcal/mol:	-211.61
Dipole, Da:	5.82
IP(EA), eV:	-9.51(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NC3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations