Geometry & MOs

Info

ID:	183571
PubChem CID:	77042076
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	6.86
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioylphenyl)-N,3-dimethylpyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(CNN1)C(=O)N(CC(=O)O)C2=CC=CC=C2N

DOS

IR

Vibrations