Geometry & MOs

Info

ID:	175339
PubChem CID:	75884792
Reduced:	O3F6N6H8C16 (1)
Stoich.:	A3B6C6D8E16 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-241.5
Dipole, Da:	6.51
IP(EA), eV:	-10.14(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)N=C3C=C(C=NC3=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations