Geometry & MOs

Info

ID:	289276
PubChem CID:	104343277
Reduced:	O3N5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	-91.57
Dipole, Da:	5.94
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)N2CCOCC2C(=O)N)N

DOS

IR

Vibrations