Geometry & MOs

Info

ID:	222345
PubChem CID:	85297082
Reduced:	NSiO2C23H41 (1)
Stoich.:	ABC2D23E41 (1)
Weight, g/mol:	393.053463
ΔH_f, kcal/mol:	-127.05
Dipole, Da:	4.6
IP(EA), eV:	-8.28(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dimethyl-3-oxocyclohexen-1-yl) 2,4-dichloro-3-(prop-2-ynoxyiminomethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(C)(CC=C[Si](C)(C)CN2CCOCC2)O

DOS

IR

Vibrations