Geometry & MOs

Info

ID:	428008
PubChem CID:	135165736
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	8.3
Dipole, Da:	4.21
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxycyclopropyl)-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2(CC2)C3=NC=CN=C3

DOS

IR

Vibrations