Geometry & MOs

Info

ID:	133897
PubChem CID:	51610577
Reduced:	FON2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	435.122393
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	8.3
IP(EA), eV:	-8.96(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2CCCN2C(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5OC

DOS

IR

Vibrations