Geometry & MOs

Info

ID:	330440
PubChem CID:	127247427
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	42.91
Dipole, Da:	6.73
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)C4=CC=NN4

DOS

IR

Vibrations