Geometry & MOs

Info

ID:	305598
PubChem CID:	124961687
Reduced:	FO3N5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	431.140055
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	4.92
IP(EA), eV:	-9.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=NC=CC(=C2C(=O)N(C1=O)C)[C@H]3CCCN(C3)C(=O)[C@H](CC4=CC=C(C=C4)F)N

DOS

IR

Vibrations