Geometry & MOs

Info

ID:	226527
PubChem CID:	87457754
Reduced:	S2F3N3O3H16C21 (1)
Stoich.:	A2B3C3D3E16F21 (1)
Weight, g/mol:	158.178299
ΔH_f, kcal/mol:	-173.91
Dipole, Da:	9.56
IP(EA), eV:	-9.62(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylheptane-3,3-diamine

Drug info:

PubChemData

Smile

CC1C(=S)N(C(=O)N1CC2=CC=NC3=CC=CC=C23)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations