Geometry & MOs

Info

ID:	355602
PubChem CID:	127289360
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)cyclopentyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)OCCO2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations