Geometry & MOs

Info

ID:	423142
PubChem CID:	135119000
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	2.45
IP(EA), eV:	-8.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC=N1)C)NC(=O)CN(C)C2CCCC2

DOS

IR

Vibrations