Geometry & MOs

Info

ID:	354310
PubChem CID:	127286436
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	344.23246
ΔH_f, kcal/mol:	4.81
Dipole, Da:	3.35
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NC(C)C2=NN=C3N2C=CC=C3

DOS

IR

Vibrations