Geometry & MOs

Info

ID:	284092
PubChem CID:	104035299
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	46.9
Dipole, Da:	3.98
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC2=CC(=NC=C2)N

DOS

IR

Vibrations