Geometry & MOs

Info

ID:	44892
PubChem CID:	10506385
Reduced:	O12C25H38 (1)
Stoich.:	A12B25C38 (1)
Weight, g/mol:	530.282095
ΔH_f, kcal/mol:	-577.53
Dipole, Da:	5.22
IP(EA), eV:	-10.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C[C@H](COC(=O)C)OC(=O)C)[C@@H](C(=O)[C@@H](C[C@H](C[C@@H](C)C(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations