Geometry & MOs

Info

ID:	149492
PubChem CID:	53789165
Reduced:	FIO5N7H13C14 (1)
Stoich.:	ABC5D7E13F14 (1)
Weight, g/mol:	464.209993
ΔH_f, kcal/mol:	-159.61
Dipole, Da:	5.1
IP(EA), eV:	-9.57(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(4-methoxyphenyl)-diphenylmethyl]diazenyl]propan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=O)N(C(=O)N1C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)I)F

DOS

IR

Vibrations