Geometry & MOs

Info

ID:	387223
PubChem CID:	134984478
Reduced:	ClO3N4C19H33 (1)
Stoich.:	AB3C4D19E33 (1)
Weight, g/mol:	271.128054
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	3.35
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3Z)-3-[[bis(2-hydroxyethyl)amino]hydrazinylidene]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](CO)NCCN([C@H](CC)CO)N=NC1=CC(=C(C=C1)Cl)COCC

DOS

IR

Vibrations