Geometry & MOs

Info

ID:	199584
PubChem CID:	79268507
Reduced:	N2O3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-157.52
Dipole, Da:	4.51
IP(EA), eV:	-9.68(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)CCCN

DOS

IR

Vibrations