Geometry & MOs

Info

ID:	184154
PubChem CID:	77120082
Reduced:	N2O6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	417.9945
ΔH_f, kcal/mol:	-271.76
Dipole, Da:	7.01
IP(EA), eV:	-10.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-5-iodo-6-propan-2-yl-5H-pyrimidin-2-ylidene)-2-ethoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)O)C(=O)C(=O)N1CCCCC1C(=O)O

DOS

IR

Vibrations