Geometry & MOs

Info

ID:	369677
PubChem CID:	127335009
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	5.73
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-methyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCCC(=O)N3C4CCC3CC(C4)O)C

DOS

IR

Vibrations