Geometry & MOs

Info

ID:	174953
PubChem CID:	75837815
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	4.77
IP(EA), eV:	-9.22(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-2-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CN3CCCC3C4=CC=CC(=C4)C)CC

DOS

IR

Vibrations