Geometry & MOs

Info

ID:	330654
PubChem CID:	127248061
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	337.155705
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	4.05
IP(EA), eV:	-8.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations