Geometry & MOs

Info

ID:	349610
PubChem CID:	127275762
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-121.7
Dipole, Da:	3.08
IP(EA), eV:	-8.51(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC(C)NC(=O)NCC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations