Geometry & MOs

Info

ID:	367339
PubChem CID:	127324233
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-52.36
Dipole, Da:	2.15
IP(EA), eV:	-8.2(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(C2)CNC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations