Geometry & MOs

Info

ID:	431198
PubChem CID:	135171268
Reduced:	N2F3C8H15 (1)
Stoich.:	A2B3C8D15 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-180.14
Dipole, Da:	4.16
IP(EA), eV:	-9.41(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)NCC(F)(F)F)N

DOS

IR

Vibrations