Geometry & MOs

Info

ID:	204529
PubChem CID:	79977776
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-68.46
Dipole, Da:	4.84
IP(EA), eV:	-9.13(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butan-2-yl-[(4-cyclopropylphenyl)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)CNC3CCC(CC3)C(=O)O

DOS

IR

Vibrations