Geometry & MOs

Info

ID:	305494
PubChem CID:	124956885
Reduced:	SO3N5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	392.150285
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	5.17
IP(EA), eV:	-8.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCNC(=O)[C@@H]2CN(CCN2C)C(=O)C3=C(N=NS3)C(C)C

DOS

IR

Vibrations