Geometry & MOs

Info

ID:	210328
PubChem CID:	80789564
Reduced:	N4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	327.10586
ΔH_f, kcal/mol:	5.4
Dipole, Da:	2.45
IP(EA), eV:	-8.58(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N(C)C2CCCCCC2

DOS

IR

Vibrations