Geometry & MOs

Info

ID:	135348
PubChem CID:	51856367
Reduced:	ClON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	5.04
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC[C@@H]2C3=CC=C(C=C3)Cl

DOS

IR

Vibrations