Geometry & MOs

Info

ID:	323039
PubChem CID:	126671882
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	364.251464
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	5.97
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(N=CC(=C2)C3=CN(N=C3)C)N

DOS

IR

Vibrations