Geometry & MOs

Info

ID:	292861
PubChem CID:	117361532
Reduced:	ClNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	243.119005
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	5.1
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C(=C(C=C1)Cl)OC)OC)N

DOS

IR

Vibrations