Geometry & MOs

Info

ID:	157085
PubChem CID:	56422107
Reduced:	N4O5C22H22 (1)
Stoich.:	A4B5C22D22 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-138.82
Dipole, Da:	5.07
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations