Geometry & MOs

Info

ID:	66084
PubChem CID:	46491044
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	458.156575
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	3.69
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N'-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]indole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)CCCOC3=CC=CC=C3Br

DOS

IR

Vibrations