Geometry & MOs

Info

ID:	23458
PubChem CID:	603807
Reduced:	NOC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	404.246378
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	3.87
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-adamantyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations