Geometry & MOs

Info

ID:	431053
PubChem CID:	135171123
Reduced:	FON4C25H27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	5.62
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-5-cyano-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(N3)C=CC(=C4)C#N

DOS

IR

Vibrations