Geometry & MOs

Info

ID:	284103
PubChem CID:	104036088
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	3.19
IP(EA), eV:	-8.69(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1)N2CCOCC2C(=O)NC3CC3

DOS

IR

Vibrations