Geometry & MOs

Info

ID:	356531
PubChem CID:	127291678
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	11.65
Dipole, Da:	7.65
IP(EA), eV:	-8.95(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations