Geometry & MOs

Info

ID:	310722
PubChem CID:	126584582
Reduced:	N2O2F3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	364.110919
ΔH_f, kcal/mol:	-212.46
Dipole, Da:	4.88
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-N-[(1R,2R,3R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/NC1=CC(=CC(=C1)C(F)(F)F)C)/C

DOS

IR

Vibrations