Geometry & MOs

Info

ID:	126667
PubChem CID:	50972887
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	4.53
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(dimethylamino)benzoyl]-2-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN2C(=CC(=N2)C(=O)O)C1)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations