Geometry & MOs

Info

ID:	171405
PubChem CID:	75372826
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	4.64
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)OCC2CC(=O)N(C2)C3=CC=CC=C3)C

DOS

IR

Vibrations