Geometry & MOs

Info

ID:	17190
PubChem CID:	487337
Reduced:	ClFO2N7C23H25 (1)
Stoich.:	ABC2D7E23F25 (1)
Weight, g/mol:	485.174229
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	6.07
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]diazenyl]-[(3-fluorophenyl)methyl]amino]ethyl acetate

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(CCOC(=O)C)CC3=CC(=CC=C3)F

DOS

IR

Vibrations