Geometry & MOs

Info

ID:	371277
PubChem CID:	127344642
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	363.263425
ΔH_f, kcal/mol:	12.11
Dipole, Da:	5.38
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations