Geometry & MOs

Info

ID:	170535
PubChem CID:	75248590
Reduced:	FN4O5C29H33 (1)
Stoich.:	AB4C5D29E33 (1)
Weight, g/mol:	416.217203
ΔH_f, kcal/mol:	-182.49
Dipole, Da:	2.68
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3,4-dihydroxy-5-[[(4-piperazin-1-ylphenyl)methylamino]methyl]oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)OC)OC1CN(C)C(=O)NC4=CC=CC=C4F)C(C)CO

DOS

IR

Vibrations