Geometry & MOs

Info

ID:	38097
PubChem CID:	8026968
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-69.08
Dipole, Da:	7.17
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-ethoxypropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations