Geometry & MOs

Info

ID:	210406
PubChem CID:	80802685
Reduced:	ClFN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	268.128388
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	1.65
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)NCC2=CC(=C(C=C2)F)Cl)C

DOS

IR

Vibrations