Geometry & MOs

Info

ID:	285122
PubChem CID:	104098269
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	5.17
IP(EA), eV:	-9.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

C1CC1(CNCC2=CC=C(S2)[N+](=O)[O-])CO

DOS

IR

Vibrations