Geometry & MOs

Info

ID:	202576
PubChem CID:	79690034
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	247.117256
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	2.88
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-5-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCCC(C1)N(C)C(=O)C2=CSC(=C2)C#CCCO

DOS

IR

Vibrations