Geometry & MOs

Info

ID:	323617
PubChem CID:	126675591
Reduced:	O2N10C23H26 (1)
Stoich.:	A2B10C23D26 (1)
Weight, g/mol:	378.267114
ΔH_f, kcal/mol:	103.64
Dipole, Da:	2.8
IP(EA), eV:	-8.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-ethylpiperazine

Drug info:

PubChemData

Smile

CC1=NN=C(O1)[C@@H]2C[C@H](CN2)OC3=CC=CC(=C3)CN4C=C(C=N4)CC5=CC(=NC6=C5NNN6)N

DOS

IR

Vibrations