Geometry & MOs

Info

ID:	330664
PubChem CID:	127248071
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-4.81
Dipole, Da:	4.89
IP(EA), eV:	-8.52(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)C3=CC4=NNN=C4C=C3)O

DOS

IR

Vibrations