Geometry & MOs

Info

ID:	330655
PubChem CID:	127248062
Reduced:	ClO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	337.155705
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	5.31
IP(EA), eV:	-8.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)C3=CC=CC=C3Cl)O

DOS

IR

Vibrations