Geometry & MOs

Info

ID:	164618
PubChem CID:	74426789
Reduced:	FN2O6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	346.22162
ΔH_f, kcal/mol:	-126.81
Dipole, Da:	6.36
IP(EA), eV:	-9.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]amino]-3-oxopropyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(=NO1)C2=CC=CC=C2F)C(C3=CC=CC=C3[N+](=O)[O-])O

DOS

IR

Vibrations