Geometry & MOs

Info

ID:	430940
PubChem CID:	135171010
Reduced:	OSN3C25H33 (1)
Stoich.:	ABC3D25E33 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	24.56
Dipole, Da:	2.93
IP(EA), eV:	-8.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)SC)C(=O)C3=C/C(=C/C=C)/C(=C)N3

DOS

IR

Vibrations