Geometry & MOs

Info

ID:	23600
PubChem CID:	604946
Reduced:	NOC13H20 (2)
Stoich.:	ABC13D20 (2)
Weight, g/mol:	412.308979
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	3.01
IP(EA), eV:	-8.52(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-adamantyl)ethoxy]-3-(4-benzylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)CC(COCCC34CC5CC(C3)CC(C5)C4)O

DOS

IR

Vibrations