Geometry & MOs

Info

ID:	210377
PubChem CID:	80797286
Reduced:	N8C11H16 (1)
Stoich.:	A8B11C16 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	96.51
Dipole, Da:	6.58
IP(EA), eV:	-9.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCCN1C2=NC(=NC(=N2)N3C=NC=N3)N

DOS

IR

Vibrations