Geometry & MOs

Info

ID:	81871
PubChem CID:	49855279
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	3.2
IP(EA), eV:	-7.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[[(1E)-1-[1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethyl]amino]carbamoyl]-2,3-dihydroindole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)NC2=NC(=CN(C2=O)C(COC)C3CC3)Cl

DOS

IR

Vibrations