Geometry & MOs

Info

ID:	52680
PubChem CID:	12015674
Reduced:	N4F5O6H21C28 (1)
Stoich.:	A4B5C6D21E28 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	-381.52
Dipole, Da:	6.92
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-phenylmethoxy-1,2-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC(=N[C@@H]([C@H](CC(=O)N1CCOC1=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)O)C3=CC=CC=C3NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations