Geometry & MOs

Info

ID:	369519
PubChem CID:	127334289
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-19.81
Dipole, Da:	4.63
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrazol-1-ylpyridin-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)CN4CCOCC4

DOS

IR

Vibrations