Geometry & MOs

Info

ID:	418430
PubChem CID:	135104719
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	5.1
IP(EA), eV:	-8.81(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbenzimidazol-1-yl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=NNC5=C4CCCC5)OCC2

DOS

IR

Vibrations