Geometry & MOs

Info

ID:	441370
PubChem CID:	135234361
Reduced:	ClFO3H16C21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	162.11907
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	3.51
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,3-N-dimethyl-1-methylsulfanylbutane-2,3-diamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2=CC=C(C=C2)Cl)F)C3C(=O)C[C@H](C3=O)CC#C

DOS

IR

Vibrations