Geometry & MOs

Info

ID:	48423
PubChem CID:	10547211
Reduced:	NO2C25H25 (1)
Stoich.:	AB2C25D25 (1)
Weight, g/mol:	377.09904
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	5.83
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]-1-azaspiro[5.5]undec-10-ene

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4

DOS

IR

Vibrations