Geometry & MOs

Info

ID:	196962
PubChem CID:	78901987
Reduced:	ClO2N6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	61.93
Dipole, Da:	4.62
IP(EA), eV:	-8.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-propan-2-yl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)NC2=CC(=CC=C2)OCCN3C=CC=N3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations