Geometry & MOs

Info

ID:	289262
PubChem CID:	104342193
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	2.88
IP(EA), eV:	-8.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COC)N2CCNCC2

DOS

IR

Vibrations