Geometry & MOs

Info

ID:	330679
PubChem CID:	127248086
Reduced:	FSN2O3C16H25 (1)
Stoich.:	ABC2D3E16F25 (1)
Weight, g/mol:	344.164854
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	5.02
IP(EA), eV:	-8.96(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyrimidin-5-ylmethanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC(C1)(CN(C)CC2=CC=C(C=C2)F)O

DOS

IR

Vibrations