Geometry & MOs

Info

ID:	416031
PubChem CID:	135089036
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	8.01
IP(EA), eV:	-9.2(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)CC(=O)NCC2=NNC3=C2CCCCC3)C)C(=O)C

DOS

IR

Vibrations