Geometry & MOs

Info

ID:	370592
PubChem CID:	127339730
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	22.04
Dipole, Da:	2.87
IP(EA), eV:	-9.07(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations