Geometry & MOs

Info

ID:	368335
PubChem CID:	127327928
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	3.98
IP(EA), eV:	-9.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations