Geometry & MOs

Info

ID:	431151
PubChem CID:	135171221
Reduced:	O2N7C26H29 (1)
Stoich.:	A2B7C26D29 (1)
Weight, g/mol:	439.208276
ΔH_f, kcal/mol:	111.38
Dipole, Da:	8.31
IP(EA), eV:	-8.65(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)OCC#C)C(=O)C3=NC4=C(N3)C=CC=C4N=[N+]=[N-]

DOS

IR

Vibrations