Geometry & MOs

Info

ID:	431027
PubChem CID:	135171097
Reduced:	FSN4O5C19H23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	414.267114
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	2.78
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3S)-3-[2-[(1R)-2,3-dihydro-1H-inden-1-yl]ethyl]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)OCCOC

DOS

IR

Vibrations