Geometry & MOs

Info

ID:	367293
PubChem CID:	127324072
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	389.186318
ΔH_f, kcal/mol:	-95.36
Dipole, Da:	3.46
IP(EA), eV:	-8.79(0.35)
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-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCC1CCCCC1NC(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations