Geometry & MOs

Info

ID:	349525
PubChem CID:	127275412
Reduced:	FN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-142.27
Dipole, Da:	2.29
IP(EA), eV:	-9.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-pyridin-4-yl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)N2CCOC(C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations