Geometry & MOs

Info

ID:	292563
PubChem CID:	116933594
Reduced:	ClFN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	252.16602
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	2.8
IP(EA), eV:	-9.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=C(C=CC(=C1)Cl)F)N)N

DOS

IR

Vibrations