Geometry & MOs

Info

ID:	269097
PubChem CID:	103613143
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	285.143704
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	2.12
IP(EA), eV:	-10.1(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(2-methoxyethoxy)propyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)CCCCCCNC(=O)C1(CCCC1)C#N

DOS

IR

Vibrations