Geometry & MOs

Info

ID:	418004
PubChem CID:	135103304
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	5.19
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpyrazol-4-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCC(=O)NCCC2=NC(=NN2)N

DOS

IR

Vibrations