Geometry & MOs

Info

ID:	430775
PubChem CID:	135170842
Reduced:	N3O4C28H39 (1)
Stoich.:	A3B4C28D39 (1)
Weight, g/mol:	303.174691
ΔH_f, kcal/mol:	-170.46
Dipole, Da:	3.92
IP(EA), eV:	-8.29(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminocyclohexyl)-N-ethyl-5-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C3=CC4=C(N3)CCCO4

DOS

IR

Vibrations