Geometry & MOs

Info

ID:	208522
PubChem CID:	80540054
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	56.86
Dipole, Da:	5.31
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminobenzoyl)amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCN)C1=NC(=NO1)CC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations