Geometry & MOs

Info

ID:	354520
PubChem CID:	127287134
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	334.24811
ΔH_f, kcal/mol:	11.3
Dipole, Da:	3.22
IP(EA), eV:	-9.49(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC(C3CCC3)C4=CC=CC=C4

DOS

IR

Vibrations