Geometry & MOs

Info

ID:	157379
PubChem CID:	56423141
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	5.36
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations