Geometry & MOs

Info

ID:	294010
PubChem CID:	117422058
Reduced:	FNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	3.04
IP(EA), eV:	-8.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1OC)F)C2(CC2)C(C)N

DOS

IR

Vibrations