Geometry & MOs

Info

ID:	195024
PubChem CID:	78623422
Reduced:	OS2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	106.14
Dipole, Da:	6.13
IP(EA), eV:	-8.51(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC2=NC(=O)C3=CC=CC(=C)C3=N2

DOS

IR

Vibrations