Geometry & MOs

Info

ID:	367377
PubChem CID:	127324329
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-123.89
Dipole, Da:	4.19
IP(EA), eV:	-8.93(-0.36)
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-phenylcyclopentyl)urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCN3C(=O)CCC3=O

DOS

IR

Vibrations