Geometry & MOs

Info

ID:	123417
PubChem CID:	50846545
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	343.119988
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	3.22
IP(EA), eV:	-9.01(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCCC2COC3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations