Geometry & MOs

Info

ID:	158523
PubChem CID:	56464130
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	4.82
IP(EA), eV:	-8.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-N-[2-[cyclopropyl(methyl)amino]propyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCCOC1=CC=CC2=CC=CC=C21)N(C)C3CC3

DOS

IR

Vibrations