Geometry & MOs

Info

ID:	305677
PubChem CID:	124964825
Reduced:	O4N5C19H25 (1)
Stoich.:	A4B5C19D25 (1)
Weight, g/mol:	448.166604
ΔH_f, kcal/mol:	-140.26
Dipole, Da:	5.28
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)[C@H]3CCN(C3)C(=O)CN4CCOCC4)C(=O)N(C1=O)C

DOS

IR

Vibrations