Geometry & MOs

Info

ID:	430804
PubChem CID:	135170871
Reduced:	ON2F3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-179.2
Dipole, Da:	2.75
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations