Geometry & MOs

Info

ID:	284376
PubChem CID:	104046195
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	2.73
IP(EA), eV:	-8.91(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dimethyloxan-4-yl)oxy-N-methyl-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)OC2CC(OC(C2)C)C)NCC

DOS

IR

Vibrations