Geometry & MOs

Info

ID:	210303
PubChem CID:	80787326
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	3.43
IP(EA), eV:	-8.88(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)CNC1=NC(=NC(=C1C)NC)C

DOS

IR

Vibrations