Geometry & MOs

Info

ID:	157385
PubChem CID:	56423149
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	456.164499
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	7.69
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations