Geometry & MOs

Info

ID:	401081
PubChem CID:	135050042
Reduced:	BrN3O8H14C18 (1)
Stoich.:	AB3C8D14E18 (1)
Weight, g/mol:	356.08907
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	6.91
IP(EA), eV:	-10.27(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-4,4-dimethyl-3-phenylselenonylcyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations