Geometry & MOs

Info

ID:	378996
PubChem CID:	134228807
Reduced:	F2O2N4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	438.157557
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	2.8
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-amino-5-fluoropyrimidin-2-yl)amino]-4-fluoro-2-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1F)OC[C@H](C)F)N2C(=O)N(N=N2)C

DOS

IR

Vibrations