Geometry & MOs

Info

ID:	181791
PubChem CID:	76792496
Reduced:	FOCl2N5C24H30 (1)
Stoich.:	ABC2D5E24F30 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	4.5
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-7-methyl-3,4,6,6a,8,9-hexahydro-2H-indolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC(=C(C=C4)Cl)Cl)F

DOS

IR

Vibrations