Geometry & MOs

Info

ID:	186024
PubChem CID:	77380944
Reduced:	O4C23H36 (1)
Stoich.:	A4B23C36 (1)
Weight, g/mol:	233.118257
ΔH_f, kcal/mol:	-185.44
Dipole, Da:	4.38
IP(EA), eV:	-9.77(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(2-bicyclo[2.2.1]heptanyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CCC1C2C(C(CCC2(C13OCCO3)C)O)C#CC(CC4CCCCC4)O

DOS

IR

Vibrations