Geometry & MOs

Info

ID:	367104
PubChem CID:	127323197
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	1.84
IP(EA), eV:	-9.02(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)C1CCCN(CC1)CC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations