Geometry & MOs

Info

ID:	354525
PubChem CID:	127287139
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	371.168143
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	2.47
IP(EA), eV:	-8.84(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations