Geometry & MOs

Info

ID:	289267
PubChem CID:	104342629
Reduced:	O3N4C13H24 (1)
Stoich.:	A3B4C13D24 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-126.4
Dipole, Da:	4.44
IP(EA), eV:	-9.19(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-2-(methoxymethyl)-4-N-thiophen-3-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)NCC(C)(CO)O

DOS

IR

Vibrations