Geometry & MOs

Info

ID:	200022
PubChem CID:	79333282
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	2.97
IP(EA), eV:	-9.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CCC1CC1(C2=CC(=CC(=C2)Br)F)O

DOS

IR

Vibrations