Geometry & MOs

Info

ID:	225911
PubChem CID:	87246414
Reduced:	NPO6C24H32 (1)
Stoich.:	ABC6D24E32 (1)
Weight, g/mol:	706.197452
ΔH_f, kcal/mol:	-270.55
Dipole, Da:	5.3
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxo-3H-indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)O)C)[C@](C)(O)P=O

DOS

IR

Vibrations