Geometry & MOs

Info

ID:	449901
PubChem CID:	135302398
Reduced:	SN4O4C25H26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	489.216475
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	6.72
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-isoquinolin-3-ylphenyl)-[4-[(R)-(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CN=C(S1)C2=CC(=CC=C2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations