Geometry & MOs

Info

ID:	349602
PubChem CID:	127275754
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-131.0
Dipole, Da:	2.87
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-3-ylmethyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2F)C(=O)NCC3COCCO3

DOS

IR

Vibrations