Geometry & MOs

Info

ID:	402308
PubChem CID:	135055410
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	352.14633
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	1.86
IP(EA), eV:	-7.87(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-hydroxy(phenanthren-9-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC[C@H](CNC1=CC=C(C=C1)OC)C2=CC=CC=C2

DOS

IR

Vibrations