Geometry & MOs

Info

ID:	354309
PubChem CID:	127286435
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-93.64
Dipole, Da:	6.59
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpiperidin-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)NCC2=CC=C(C=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations