Geometry & MOs

Info

ID:	275033
PubChem CID:	103813297
Reduced:	ClOSN3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	2.23
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

DOS

IR

Vibrations