Geometry & MOs

Info

ID:	445273
PubChem CID:	135265744
Reduced:	N6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	473.223846
ΔH_f, kcal/mol:	118.61
Dipole, Da:	2.57
IP(EA), eV:	-8.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-[(Z)-N'-[C-(4,4-difluoropiperidin-1-yl)-N-methylcarbonimidoyl]carbamimidoyl]phenyl]pyridin-2-yl]oxy-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)N=C(N)NC2=CC=CC=C2N=N

DOS

IR

Vibrations