Geometry & MOs

Info

ID:	289180
PubChem CID:	104338824
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	4.0
IP(EA), eV:	-8.7(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azepan-1-yl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COC)N2CCCC(C2)C

DOS

IR

Vibrations