Geometry & MOs

Info

ID:	347499
PubChem CID:	127272354
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	4.82
IP(EA), eV:	-8.53(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=CC=CC=C2NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations