Geometry & MOs

Info

ID:	261872
PubChem CID:	103256288
Reduced:	FIO2N3H9C12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	4.88
IP(EA), eV:	-8.71(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)I)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations