Geometry & MOs

Info

ID:	330680
PubChem CID:	127248087
Reduced:	FO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	324.184921
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	7.15
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)CC2(CCN(C2)C(=O)C3=CN=CN=C3)O

DOS

IR

Vibrations