Geometry & MOs

Info

ID:	371303
PubChem CID:	127345654
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	20.47
Dipole, Da:	4.09
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1C2CC3CC(C2)CC1C3)C(=O)C4=CC(=NC=C4)N5C=CC=N5

DOS

IR

Vibrations