Geometry & MOs

Info

ID:	345385
PubChem CID:	127269685
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-81.21
Dipole, Da:	4.38
IP(EA), eV:	-8.91(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxyethyl)pyrazol-3-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

COCCN1C=CC(=N1)NC(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations