Geometry & MOs

Info

ID:	189422
PubChem CID:	77853504
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	7.9
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethylpyrazol-4-yl)methyl]-6-propyl-3,6-diazabicyclo[3.2.2]nonane

Drug info:

PubChemData

Smile

CC1=NC(=O)N=C(C1CCC(=O)N2CCCCC2CCN3C=CC=N3)C

DOS

IR

Vibrations