Geometry & MOs

Info

ID:	322802
PubChem CID:	126671194
Reduced:	N4O4C31H64 (1)
Stoich.:	A4B4C31D64 (1)
Weight, g/mol:	378.267114
ΔH_f, kcal/mol:	-250.32
Dipole, Da:	3.72
IP(EA), eV:	-8.14(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]ethyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)COC[C@H](CN1CCN(CC1)C(C)(C)CC(C)(C)COC[C@@H](CN2CCN(CC2)C(C)(C)C)O)O

DOS

IR

Vibrations