Geometry & MOs

Info

ID:	330677
PubChem CID:	127248084
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	330.141342
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	4.94
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-3-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)CC2(CCN(C2)C(=O)C3=CN(N=C3C)C)O

DOS

IR

Vibrations