Geometry & MOs

Info

ID:	330516
PubChem CID:	127247923
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	346.180504
ΔH_f, kcal/mol:	-130.41
Dipole, Da:	4.54
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CN2C3=CC=CC=C3OC2=O)C

DOS

IR

Vibrations