Geometry & MOs

Info

ID:	44074
PubChem CID:	10500655
Reduced:	O2N3H17C25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	391.191245
ΔH_f, kcal/mol:	84.73
Dipole, Da:	6.21
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-adamantyloxy-(1-amino-2-phenylethyl)phosphoryl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC3(N2C4=CC=CC5=CC=CC=C54)C6=CC=CC=C6NC3=O

DOS

IR

Vibrations