Geometry & MOs

Info

ID:	184159
PubChem CID:	77120724
Reduced:	IN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	377.9632
ΔH_f, kcal/mol:	-12.55
Dipole, Da:	4.75
IP(EA), eV:	-9.28(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-6-ethyl-5-iodo-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=O)C1I)C2=CC(=CC=C2)O

DOS

IR

Vibrations