Geometry & MOs

Info

ID:	289154
PubChem CID:	104337646
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	13.84
Dipole, Da:	1.48
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)C2=CN(N=C2)CC)COCC

DOS

IR

Vibrations