Geometry & MOs

Info

ID:	364805
PubChem CID:	127316146
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-7.57
Dipole, Da:	3.81
IP(EA), eV:	-8.97(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations