Geometry & MOs

Info

ID:	379
PubChem CID:	2680
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-173.8
Dipole, Da:	4.64
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O

DOS

IR

Vibrations