Geometry & MOs

Info

ID:	428012
PubChem CID:	135165741
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	5.29
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxycyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations