Geometry & MOs

Info

ID:	216120
PubChem CID:	85085757
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	5.51
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-(4-methylphenyl)-4-nitrosopyrazolidin-3-amine

Drug info:

PubChemData

Smile

COC(=O)CNC=C(CC1=CC=CC=C1)C#N

DOS

IR

Vibrations