Geometry & MOs

Info

ID:	290340
PubChem CID:	104430407
Reduced:	O2N5C11H19 (1)
Stoich.:	A2B5C11D19 (1)
Weight, g/mol:	257.104338
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	5.32
IP(EA), eV:	-8.4(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCNC(=O)CCNC1=NC=NC(=C1OC)NC

DOS

IR

Vibrations