Geometry & MOs

Info

ID:	367279
PubChem CID:	127324056
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-77.3
Dipole, Da:	2.35
IP(EA), eV:	-8.97(0.31)
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-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3CC4CC3C5C4CCC5)C

DOS

IR

Vibrations