Geometry & MOs

Info

ID:	211458
PubChem CID:	80953293
Reduced:	ClN4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	268.109089
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	6.55
IP(EA), eV:	-9.06(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)NC(C)CN2CCCC2

DOS

IR

Vibrations