Geometry & MOs

Info

ID:	321911
PubChem CID:	126667273
Reduced:	BrO5N7C16H22 (1)
Stoich.:	AB5C7D16E22 (1)
Weight, g/mol:	355.05315
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	6.99
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-methoxy-2-nitrophenyl)-5-methyl-2,5-diazaspiro[3.4]octane

Drug info:

PubChemData

Smile

CC(C)OCCC(C(=O)OC(C)(CN=[N+]=[N-])CN=[N+]=[N-])N1C=C(C(=CC1=O)Br)O

DOS

IR

Vibrations