Geometry & MOs

Info

ID:	227978
PubChem CID:	87563160
Reduced:	ClO3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	304.096026
ΔH_f, kcal/mol:	-151.63
Dipole, Da:	3.48
IP(EA), eV:	-10.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-3-(1H-indazol-6-ylmethylidene)-2-oxo-1H-indol-7-yl]formamide

Drug info:

PubChemData

Smile

C1COC(OC1)CCC(=O)Cl

DOS

IR

Vibrations