Geometry & MOs

Info

ID:	364711
PubChem CID:	127316014
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	2.67
IP(EA), eV:	-9.03(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)N2CCN(CC2)CC3=NC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations