Geometry & MOs

Info

ID:	289225
PubChem CID:	104341021
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	4.06
IP(EA), eV:	-8.64(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NCCCCOC

DOS

IR

Vibrations