Geometry & MOs

Info

ID:	323042
PubChem CID:	126671887
Reduced:	O2N7C36H45 (1)
Stoich.:	A2B7C36D45 (1)
Weight, g/mol:	394.262028
ΔH_f, kcal/mol:	10.56
Dipole, Da:	1.97
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-(cyclopentyloxymethyl)phenyl]-2-methoxyphenyl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)CC2=CC=C(C=C2)C3=CC=C(C=C3)CO[C@H]4CCC[C@@H]4NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C)N

DOS

IR

Vibrations