Geometry & MOs

Info

ID:	367223
PubChem CID:	127323998
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	2.34
IP(EA), eV:	-8.68(-0.3)
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-[[6-(2-methylmorpholin-4-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)CNC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations