Geometry & MOs

Info

ID:	370169
PubChem CID:	127337624
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	10.1
Dipole, Da:	10.91
IP(EA), eV:	-8.33(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCC3=CN4CCCCC4=N3

DOS

IR

Vibrations