Geometry & MOs

Info

ID:	368410
PubChem CID:	127328335
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	4.13
Dipole, Da:	2.56
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-oxo-2-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCN(CC2)CC3=NC=CN3)SC4=CC=CC=C4

DOS

IR

Vibrations