Geometry & MOs

Info

ID:	416131
PubChem CID:	135089139
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-112.43
Dipole, Da:	7.86
IP(EA), eV:	-8.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-methylpyrazol-3-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)CNC2=NC=CC(=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations