Geometry & MOs

Info

ID:	289153
PubChem CID:	104337644
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	20.32
Dipole, Da:	1.9
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-N-ethyl-6-(1-ethylpyrazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations