Geometry & MOs

Info

ID:	140496
PubChem CID:	52710006
Reduced:	BrON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	444.0797
ΔH_f, kcal/mol:	37.6
Dipole, Da:	4.78
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NNC(=O)C2=C(N(C(=C2)C)C3=CC(=CC=C3)Br)C)C

DOS

IR

Vibrations