Geometry & MOs

Info

ID:	224785
PubChem CID:	85353023
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	9.5
IP(EA), eV:	-9.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-3-methylbutyl) 2-aminobenzoate

Drug info:

PubChemData

Smile

C1CN2C(COC2=NC1=O)C3=CC=CC=C3

DOS

IR

Vibrations