Geometry & MOs

Info

ID:	210589
PubChem CID:	80827438
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	2.83
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,2-dimethylpyrrolidin-1-yl)-4-N-ethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCCOCCO)N

DOS

IR

Vibrations