Geometry & MOs

Info

ID:	204530
PubChem CID:	79977777
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	6.38
IP(EA), eV:	-9.38(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclopropylphenyl)methyl-ethylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)N(CC1=CC=C(C=C1)C2CC2)CC(=O)O

DOS

IR

Vibrations