Geometry & MOs

Info

ID:	419587
PubChem CID:	135108482
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	1.93
IP(EA), eV:	-8.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[2-(2-methylbenzimidazol-1-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations