Geometry & MOs

Info

ID:	161286
PubChem CID:	57391255
Reduced:	BrOSN4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	83.29
Dipole, Da:	9.53
IP(EA), eV:	-8.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7R,8aR)-4-[2-(furan-3-yl)ethyl]-7-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NN3C(=NN=C3S2)C4=C(C=CC(=C4)OC)Br

DOS

IR

Vibrations