Geometry & MOs

Info

ID:	329441
PubChem CID:	126736746
Reduced:	ClO2N3F4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	490.255561
ΔH_f, kcal/mol:	-181.14
Dipole, Da:	9.68
IP(EA), eV:	-8.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-methyl-N-[[8-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CCC(=O)NC3(CC3)C(F)(F)F)CNC(=O)C4=CC(=CC(=C4)Cl)F

DOS

IR

Vibrations