Geometry & MOs

Info

ID:	431034
PubChem CID:	135171104
Reduced:	O2N5C27H33 (1)
Stoich.:	A2B5C27D33 (1)
Weight, g/mol:	431.182062
ΔH_f, kcal/mol:	48.15
Dipole, Da:	7.39
IP(EA), eV:	-8.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,5R)-5-(benzylamino)oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CCCC(C1)NCC2=CC(=CC=C2)OCC#C)C(=O)CNC3=C(C=C(C=C3)N)N=C

DOS

IR

Vibrations