Geometry & MOs

Info

ID:	26668
PubChem CID:	794529
Reduced:	O3H7N7C10 (1)
Stoich.:	A3B7C7D10 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	77.19
Dipole, Da:	6.0
IP(EA), eV:	-10.19(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-amino-3-(4-methylphenyl)butanoic acid

Drug info:

PubChemData

Smile

C1=C(C=NC2=C(C=NN21)C(=O)N)C3=C(C=NN3)[N+](=O)[O-]

DOS

IR

Vibrations