Geometry & MOs

Info

ID:	43087
PubChem CID:	10318403
Reduced:	NO7H15C21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	392.13509
ΔH_f, kcal/mol:	-98.54
Dipole, Da:	5.24
IP(EA), eV:	-10.03(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-2-bromo-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C2=O)(C=C=CCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations