Geometry & MOs

Info

ID:	136241
PubChem CID:	52005796
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	295.072369
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	8.99
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(3-chloroindazol-1-yl)propanoylamino]acetate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(=O)NCC(=O)N3CCOCC3

DOS

IR

Vibrations