Geometry & MOs

Info

ID:	293189
PubChem CID:	117376403
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	4.44
IP(EA), eV:	-8.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[4-(cyclopropylmethoxy)phenyl]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)OCCCO2)CC3(CC3)N

DOS

IR

Vibrations