Geometry & MOs

Info

ID:	330661
PubChem CID:	127248068
Reduced:	O2N7C14H25 (1)
Stoich.:	A2B7C14D25 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	-19.14
Dipole, Da:	5.48
IP(EA), eV:	-8.64(-0.52)
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]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)CCN3C=NN=N3)O

DOS

IR

Vibrations