Geometry & MOs

Info

ID:	365887
PubChem CID:	127319139
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	41.85
Dipole, Da:	7.09
IP(EA), eV:	-8.37(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-phenyl-2-propan-2-ylpyrazol-3-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3=CC(=NN3C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations