Geometry & MOs

Info

ID:	56835
PubChem CID:	22394325
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	518.11794
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	6.55
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)NC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations