Geometry & MOs

Info

ID:	289286
PubChem CID:	104343957
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	1.64
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxyphenyl]acetonitrile

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)OC2=CC=C(C=C2)C

DOS

IR

Vibrations