Geometry & MOs

Info

ID:	430827
PubChem CID:	135170894
Reduced:	OF3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-141.16
Dipole, Da:	5.21
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzamidocyclohexyl)-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CC(C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CC=NC=C4

DOS

IR

Vibrations