Geometry & MOs

Info

ID:	70720
PubChem CID:	48413771
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	32.28
Dipole, Da:	4.81
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(NN=C3)C)C

DOS

IR

Vibrations