Geometry & MOs

Info

ID:	330656
PubChem CID:	127248063
Reduced:	ClO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	6.79
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations