Geometry & MOs

Info

ID:	184408
PubChem CID:	77157173
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	-179.82
Dipole, Da:	3.52
IP(EA), eV:	-9.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(3-aminophenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(N(C2=O)C(CCC(=O)OC(C)(C)C)C(=O)N)C

DOS

IR

Vibrations