Geometry & MOs

Info

ID:	160242
PubChem CID:	57309588
Reduced:	OC26H40 (1)
Stoich.:	AB26C40 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	1.76
IP(EA), eV:	-8.49(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)-3-tert-butyl-3-propan-2-ylcyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CCC1(CCCCC1)CCC(CC2=CCCCC2)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations