Geometry & MOs

Info

ID:	271028
PubChem CID:	103640596
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	362.01274
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	8.55
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-iodo-4-nitrophenyl)-2-methyl-1,4-oxazepane

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC2=C(C=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations