Geometry & MOs

Info

ID:	148119
PubChem CID:	53787781
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	200.079707
ΔH_f, kcal/mol:	-149.05
Dipole, Da:	8.61
IP(EA), eV:	-9.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-nitro-2-nitrosohex-2-enal

Drug info:

PubChemData

Smile

CC1=CC(=O)NC(=O)C1=CC=C(O)O

DOS

IR

Vibrations