Geometry & MOs

Info

ID:	216524
PubChem CID:	85086366
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	4.95
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-nitrophenyl)methoxyimino]azepan-2-one

Drug info:

PubChemData

Smile

C1CC(=O)CC2C1C(NO2)C3=CC=CC4=C3C=CC=C4O

DOS

IR

Vibrations