Geometry & MOs

Info

ID:	305604
PubChem CID:	124961940
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	2.67
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C[C@@H]([C@H](C1)C(=O)NCCC2=CC=C(C=C2)OC)C3=CC=C(C=C3)CNC(=O)C4=CN=CC=C4

DOS

IR

Vibrations