Geometry & MOs

Info

ID:	157384
PubChem CID:	56423147
Reduced:	N3O5H19C25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	5.49
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CCNC(=O)C4=NNC5=CC=CC=C54

DOS

IR

Vibrations