Geometry & MOs

Info

ID:	356030
PubChem CID:	127291059
Reduced:	N3O4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-194.33
Dipole, Da:	4.99
IP(EA), eV:	-9.17(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2CCCOC2)C(=O)N3CCOCC3

DOS

IR

Vibrations