Geometry & MOs

Info

ID:	55291
PubChem CID:	17390013
Reduced:	NSO2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	5.24
IP(EA), eV:	-9.06(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-5-cyclohexyl-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)C(=O)O

DOS

IR

Vibrations