Geometry & MOs

Info

ID:	184467
PubChem CID:	77163407
Reduced:	Cl2O2F3N3H9C15 (1)
Stoich.:	A2B2C3D3E9F15 (1)
Weight, g/mol:	453.201219
ΔH_f, kcal/mol:	-160.52
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995128
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;1-(10H-phenoxazin-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C=C[N+](=C3)C(F)(F)F)C(=N2)C(=O)O

DOS

IR

Vibrations