Geometry & MOs

Info

ID:	349611
PubChem CID:	127275763
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-130.59
Dipole, Da:	4.28
IP(EA), eV:	-9.38(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCC3=C2C=CC(=C3)F

DOS

IR

Vibrations