Geometry & MOs

Info

ID:	402139
PubChem CID:	135054578
Reduced:	NSi3O7C32H69 (1)
Stoich.:	AB3C7D32E69 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	-539.55
Dipole, Da:	6.06
IP(EA), eV:	-8.62(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-hydroxy(phenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC[C@H]1[C@@H]([C@H]([C@H](C(O1)O)N=C(OC(C)(C)C)O[Si](C)(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations