Geometry & MOs

Info

ID:	285138
PubChem CID:	104098316
Reduced:	SN2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	32.98
Dipole, Da:	6.27
IP(EA), eV:	-9.55(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CCC1NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations