Geometry & MOs

Info

ID:	348053
PubChem CID:	127273115
Reduced:	O2F3N4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-218.74
Dipole, Da:	5.69
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyclopentyloxypyridin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=C(C=C2)NC(=O)N3CCN(CC3)CC(F)(F)F

DOS

IR

Vibrations