Geometry & MOs

Info

ID:	430958
PubChem CID:	135171028
Reduced:	OF3N5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	1.63
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N[C@H](C2=CN=CN=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations