Geometry & MOs

Info

ID:	182742
PubChem CID:	76934117
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	9.08
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-anilino-2-oxoethyl)-N,5-dimethylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C(=O)NC2=CC=C(C=C2)C3=CN=CO3)N

DOS

IR

Vibrations