Geometry & MOs

Info

ID:	399981
PubChem CID:	135044324
Reduced:	NSH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	77.85
Dipole, Da:	2.91
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CC=CC=C2C3=CC=CC=N3

DOS

IR

Vibrations