Geometry & MOs

Info

ID:	367267
PubChem CID:	127324044
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	374.204194
ΔH_f, kcal/mol:	-5.91
Dipole, Da:	2.56
IP(EA), eV:	-8.65(0.08)
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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NC3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations