Geometry & MOs

Info

ID:	284094
PubChem CID:	104035651
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	17.82
Dipole, Da:	4.34
IP(EA), eV:	-8.32(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)NC2=CC(=NC=C2)NC)C

DOS

IR

Vibrations