Geometry & MOs

Info

ID:	76986
PubChem CID:	48425668
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-223.03
Dipole, Da:	6.15
IP(EA), eV:	-9.8(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CN=C(C=C1)C(F)(F)F

DOS

IR

Vibrations