Geometry & MOs

Info

ID:	330441
PubChem CID:	127247845
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	4.3
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-1-methylindole-2-carbonyl)-4-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)F)C(=O)N3CCN(CC(C3)C(=O)N)C

DOS

IR

Vibrations