Geometry & MOs

Info

ID:	431000
PubChem CID:	135171070
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	5.96
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-[(2-oxo-1H-pyridin-4-yl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=O)NC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations