Geometry & MOs

Info

ID:	367586
PubChem CID:	127325069
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-0.59
Dipole, Da:	8.31
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations