Geometry & MOs

Info

ID:	293232
PubChem CID:	117377815
Reduced:	ClNF2O2C10H10 (1)
Stoich.:	ABC2D2E10F10 (1)
Weight, g/mol:	249.073198
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	2.44
IP(EA), eV:	-9.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine

Drug info:

PubChemData

Smile

C1COC(CN1)C2=C(C=C(C(=C2F)Cl)O)F

DOS

IR

Vibrations