Geometry & MOs

Info

ID:	205518
PubChem CID:	80114778
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	269.159121
ΔH_f, kcal/mol:	-191.99
Dipole, Da:	4.84
IP(EA), eV:	-9.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-difluoro-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)CCC(C)CC(=O)O)F

DOS

IR

Vibrations