Geometry & MOs

Info

ID:	369875
PubChem CID:	127336570
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	-166.46
Dipole, Da:	5.42
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC(C3CCOCC3)O

DOS

IR

Vibrations