Geometry & MOs

Info

ID:	430953
PubChem CID:	135171023
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	3.04
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCCC(C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations